2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide

C16H21N5O2S — CID 99601816

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyDHRSLPADNCIDHS-LBPRGKRZSA-N
MW347.44 g/mol
LogP1.35
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 99601816) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
PubChem CID99601816
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyDHRSLPADNCIDHS-LBPRGKRZSA-N
XLogP1.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Methylpyrazol-3-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidin-2-one
CID 137982035
N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 29185071
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46688565
2-(3-aminopyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 62111904
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyrazol-1-ylpropanamide
CID 78848419
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86883851
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86883866
N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525208
1-cyclopentyl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529469
1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529973
N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531247
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-{trans-3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}acetamide
CID 91793472

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide (CID 99601816) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide is Cc1nc(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is DHRSLPADNCIDHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-13(17-11(2)24-10)9-15(22)18-12-5-4-7-21(16(12)23)14-6-8-20(3)19-14/h6,8,12H,4-5,7,9H2,1-3H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 99601816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).