N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide

C13H19N5O3S2 — CID 92627095

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C13H19N5O3S2/c1-7(10-6-14-18(4)9(10)3)15-12(19)11-8(2)16-13(22-11)17-23(5,20)21/h6-7H,1-5H3,(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyAPKZEEDIWQVBDV-ZETCQYMHSA-N
MW357.46 g/mol
LogP1.36
Rot. Bonds5

About N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 92627095) has the molecular formula C13H19N5O3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID92627095
Molecular FormulaC13H19N5O3S2
Molecular Weight357.46 g/mol
Exact Mass357.09
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)N[C@@H](C)c1cnn(C)c1C
InChIInChI=1S/C13H19N5O3S2/c1-7(10-6-14-18(4)9(10)3)15-12(19)11-8(2)16-13(22-11)17-23(5,20)21/h6-7H,1-5H3,(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyAPKZEEDIWQVBDV-ZETCQYMHSA-N
XLogP1.36
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
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2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
CID 133159057
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 47027987
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 146131311
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide (CID 92627095) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(C)(=O)=O)sc1C(=O)N[C@@H](C)c1cnn(C)c1C.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is APKZEEDIWQVBDV-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H19N5O3S2/c1-7(10-6-14-18(4)9(10)3)15-12(19)11-8(2)16-13(22-11)17-23(5,20)21/h6-7H,1-5H3,(H,15,19)(H,16,17)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 92627095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).