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

C16H20N4OS — CID 95828285

IUPAC1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc(Nc3ncccc3C)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-11-4-3-7-17-15(11)19-16-18-14(10-22-16)13-5-8-20(9-6-13)12(2)21/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCWUWDQMKOTWOPI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.32
Rot. Bonds3

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

1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 95828285) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
PubChem CID95828285
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc(Nc3ncccc3C)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-11-4-3-7-17-15(11)19-16-18-14(10-22-16)13-5-8-20(9-6-13)12(2)21/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCWUWDQMKOTWOPI-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[[4-(2,6-dimethylphenyl)sulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 163756784
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 24995592
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
N-(3-methyl-2-pyridinyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 1092469
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
1-[4-[2-[[5-(3-methylimidazo[4,5-b]pyridin-7-yl)sulfanyl-3-phenoxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 59291790
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
tert-butyl 4-[2-[[5-bromo-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 86640988
4-(4-chlorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 2215267
4-(furan-3-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride
CID 72720208

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (CID 95828285) is 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2csc(Nc3ncccc3C)n2)CC1.
What is the InChIKey of 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is CWUWDQMKOTWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-4-3-7-17-15(11)19-16-18-14(10-22-16)13-5-8-20(9-6-13)12(2)21/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 316.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95828285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).