N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide

C14H17N7OS — CID 71802111

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cn(C)nn3)cs2)n1
InChIInChI=1S/C14H17N7OS/c1-9-6-10(2)21(18-9)14-16-11(8-23-14)4-5-15-13(22)12-7-20(3)19-17-12/h6-8H,4-5H2,1-3H3,(H,15,22)
InChIKeyYOTMLAVCGSQRPP-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.05
Rot. Bonds5

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 71802111) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide
PubChem CID71802111
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cn(C)nn3)cs2)n1
InChIInChI=1S/C14H17N7OS/c1-9-6-10(2)21(18-9)14-16-11(8-23-14)4-5-15-13(22)12-7-20(3)19-17-12/h6-8H,4-5H2,1-3H3,(H,15,22)
InChIKeyYOTMLAVCGSQRPP-UHFFFAOYSA-N
XLogP1.05
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
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CID 72717477
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
CID 71802158
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 71802223
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131898205
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 135093167
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 1481771
N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70758139
5-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72859912
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 74250606
N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 90653066
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97941076

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide (CID 71802111) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3cn(C)nn3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is YOTMLAVCGSQRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-9-6-10(2)21(18-9)14-16-11(8-23-14)4-5-15-13(22)12-7-20(3)19-17-12/h6-8H,4-5H2,1-3H3,(H,15,22).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71802111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).