1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol

C16H29N3OS — CID 63931859

IUPAC1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2(O)CCCC(C)C2)s1
InChIInChI=1S/C16H29N3OS/c1-4-19(5-2)15-18-11-14(21-15)10-17-12-16(20)8-6-7-13(3)9-16/h11,13,17,20H,4-10,12H2,1-3H3
InChIKeyYGTGXJDHLZXMTN-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.02
Rot. Bonds7

About 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63931859) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63931859
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2(O)CCCC(C)C2)s1
InChIInChI=1S/C16H29N3OS/c1-4-19(5-2)15-18-11-14(21-15)10-17-12-16(20)8-6-7-13(3)9-16/h11,13,17,20H,4-10,12H2,1-3H3
InChIKeyYGTGXJDHLZXMTN-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol (CID 63931859) is 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol is CCN(CC)c1ncc(CNCC2(O)CCCC(C)C2)s1.
What is the InChIKey of 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is YGTGXJDHLZXMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-19(5-2)15-18-11-14(21-15)10-17-12-16(20)8-6-7-13(3)9-16/h11,13,17,20H,4-10,12H2,1-3H3.
What are the key properties of 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 311.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63931859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).