methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole

C99H157N15O2S2 — CID 157229893

IUPACmethane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1nccs1
InChIInChI=1S/C14H22N2.2C12H18N2O.C12H20N2S.2C12H18N2.2C8H11N.C6H9NS.3CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-7-3-4-8-6;;;/h6-8,12H,3-5,9-11H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyATZBXVPPZKDWJH-UHFFFAOYSA-N
MW1653.58 g/mol
LogP24.72
Rot. Bonds17

About methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole

methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole (PubChem CID 157229893) has the molecular formula C99H157N15O2S2 and a molecular weight of 1653.58 g/mol. Its IUPAC name is methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namemethane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
PubChem CID157229893
Molecular FormulaC99H157N15O2S2
Molecular Weight1653.58 g/mol
Exact Mass1652.21
IUPAC Namemethane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1nccs1
InChIInChI=1S/C14H22N2.2C12H18N2O.C12H20N2S.2C12H18N2.2C8H11N.C6H9NS.3CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-7-3-4-8-6;;;/h6-8,12H,3-5,9-11H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyATZBXVPPZKDWJH-UHFFFAOYSA-N
XLogP24.72
TPSA153.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.58
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole (CID 157229893) is methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole is C.C.C.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1nccs1.
What is the InChIKey of methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole?
The InChIKey is ATZBXVPPZKDWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2C12H18N2O.C12H20N2S.2C12H18N2.2C8H11N.C6H9NS.3CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-7-3-4-8-6;;;/h6-8,12H,3-5,9-11H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;9-10H,3-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;3*1H4.
What are the key properties of methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole?
methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole has a molecular weight of 1653.58 g/mol, XLogP of 24.72, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157229893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).