N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide

C15H19N5OS — CID 95829191

IUPACN-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc([C@H]2CCCN(c3cc(C)ncn3)C2)cs1
InChIInChI=1S/C15H19N5OS/c1-10-6-14(17-9-16-10)20-5-3-4-12(7-20)13-8-22-15(19-13)18-11(2)21/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyZKDYRQRVELSFAX-LBPRGKRZSA-N
MW317.42 g/mol
LogP2.58
Rot. Bonds3

About N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95829191) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95829191
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc([C@H]2CCCN(c3cc(C)ncn3)C2)cs1
InChIInChI=1S/C15H19N5OS/c1-10-6-14(17-9-16-10)20-5-3-4-12(7-20)13-8-22-15(19-13)18-11(2)21/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyZKDYRQRVELSFAX-LBPRGKRZSA-N
XLogP2.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258692
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95838085
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 125025536
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985983

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide (CID 95829191) is N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc([C@H]2CCCN(c3cc(C)ncn3)C2)cs1.
What is the InChIKey of N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZKDYRQRVELSFAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-6-14(17-9-16-10)20-5-3-4-12(7-20)13-8-22-15(19-13)18-11(2)21/h6,8-9,12H,3-5,7H2,1-2H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95829191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).