2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C10H13N5OS — CID 104872498

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C10H13N5OS/c1-5-7(4-15(3)14-5)13-9(16)8-6(2)12-10(11)17-8/h4H,1-3H3,(H2,11,12)(H,13,16)
InChIKeyJEEJADJPZCRBPV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.33
Rot. Bonds2

About 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104872498) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID104872498
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C10H13N5OS/c1-5-7(4-15(3)14-5)13-9(16)8-6(2)12-10(11)17-8/h4H,1-3H3,(H2,11,12)(H,13,16)
InChIKeyJEEJADJPZCRBPV-UHFFFAOYSA-N
XLogP1.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79101089
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
3-amino-N-(1,3-dimethylpyrazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102806908

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 104872498) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nn(C)cc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JEEJADJPZCRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-5-7(4-15(3)14-5)13-9(16)8-6(2)12-10(11)17-8/h4H,1-3H3,(H2,11,12)(H,13,16).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).