2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C9H11N5OS — CID 62788375

IUPAC2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(N)n1
InChIInChI=1S/C9H11N5OS/c1-4-7(5(2)14-13-4)12-8(15)6-3-16-9(10)11-6/h3H,1-2H3,(H2,10,11)(H,12,15)(H,13,14)
InChIKeyROBQWTQDIWGAEQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62788375) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID62788375
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(N)n1
InChIInChI=1S/C9H11N5OS/c1-4-7(5(2)14-13-4)12-8(15)6-3-16-9(10)11-6/h3H,1-2H3,(H2,10,11)(H,12,15)(H,13,14)
InChIKeyROBQWTQDIWGAEQ-UHFFFAOYSA-N
XLogP1.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56781018
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
CID 75434350
2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole-4-carbohydrazide
CID 1497048
2-(3,5-Dimethylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
CID 1497049
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43250632
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43382438
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 62788375) is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ROBQWTQDIWGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-7(5(2)14-13-4)12-8(15)6-3-16-9(10)11-6/h3H,1-2H3,(H2,10,11)(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).