2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide

C10H13N5OS — CID 164629416

IUPAC2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](C)Cn2cncn2)cs1
InChIInChI=1S/C10H13N5OS/c1-7(3-15-6-11-5-12-15)13-10(16)9-4-17-8(2)14-9/h4-7H,3H2,1-2H3,(H,13,16)/t7-/m0/s1
InChIKeyCAZPECBSHAVYEX-ZETCQYMHSA-N
MW251.32 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 164629416) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID164629416
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](C)Cn2cncn2)cs1
InChIInChI=1S/C10H13N5OS/c1-7(3-15-6-11-5-12-15)13-10(16)9-4-17-8(2)14-9/h4-7H,3H2,1-2H3,(H,13,16)/t7-/m0/s1
InChIKeyCAZPECBSHAVYEX-ZETCQYMHSA-N
XLogP0.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72143074
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53506599
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53614124
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 71981676
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 72142670
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 72142701
N-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142780
1,3-Thiazol-4-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72142940
(2-Methyl-1,3-thiazol-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72143002
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72858526
2-(cyclopropylamino)-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-thiazole-4-carboxamide
CID 45494584
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 164629416) is 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@@H](C)Cn2cncn2)cs1.
What is the InChIKey of 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CAZPECBSHAVYEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7(3-15-6-11-5-12-15)13-10(16)9-4-17-8(2)14-9/h4-7H,3H2,1-2H3,(H,13,16)/t7-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 251.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164629416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).