N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C17H29N3S — CID 63917133

IUPACN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCCN1c1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H29N3S/c1-12-7-5-6-10-20(12)16-19-15(13-8-9-13)14(21-16)11-18-17(2,3)4/h12-13,18H,5-11H2,1-4H3
InChIKeyROHORFNDUAQJAP-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.29
Rot. Bonds4

About N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63917133) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID63917133
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCCN1c1nc(C2CC2)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H29N3S/c1-12-7-5-6-10-20(12)16-19-15(13-8-9-13)14(21-16)11-18-17(2,3)4/h12-13,18H,5-11H2,1-4H3
InChIKeyROHORFNDUAQJAP-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 63917133) is N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC1CCCCN1c1nc(C2CC2)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ROHORFNDUAQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-12-7-5-6-10-20(12)16-19-15(13-8-9-13)14(21-16)11-18-17(2,3)4/h12-13,18H,5-11H2,1-4H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63917133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).