[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H22N4OS — CID 71871070

IUPAC[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1csc(CN(C)c2ncccc2C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H22N4OS/c1-13-12-23-15(19-13)11-20(2)16-14(7-6-8-18-16)17(22)21-9-4-3-5-10-21/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyBQVVGWBVBZNUCB-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.11
Rot. Bonds4

About [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 71871070) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID71871070
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1csc(CN(C)c2ncccc2C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H22N4OS/c1-13-12-23-15(19-13)11-20(2)16-14(7-6-8-18-16)17(22)21-9-4-3-5-10-21/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyBQVVGWBVBZNUCB-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
2-Ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470733
8-(2-Azanyl-1,3-Thiazol-4-Yl)-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567105
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 71871070) is [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1csc(CN(C)c2ncccc2C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is BQVVGWBVBZNUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-12-23-15(19-13)11-20(2)16-14(7-6-8-18-16)17(22)21-9-4-3-5-10-21/h6-8,12H,3-5,9-11H2,1-2H3.
What are the key properties of [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 330.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71871070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).