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

C10H13N5OS — CID 66378376

IUPAC2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(CN)n2)n(C)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(15(2)14-6)13-10(16)7-5-17-9(4-11)12-7/h3,5H,4,11H2,1-2H3,(H,13,16)
InChIKeyBGCFYASKJWQGCU-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.90
Rot. Bonds3

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

2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66378376) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID66378376
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(CN)n2)n(C)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(15(2)14-6)13-10(16)7-5-17-9(4-11)12-7/h3,5H,4,11H2,1-2H3,(H,13,16)
InChIKeyBGCFYASKJWQGCU-UHFFFAOYSA-N
XLogP0.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66372657
2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66377879
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 107625791
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 119685648
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66376283
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114130714
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 66378376) is 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(CN)n2)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BGCFYASKJWQGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-3-8(15(2)14-6)13-10(16)7-5-17-9(4-11)12-7/h3,5H,4,11H2,1-2H3,(H,13,16).
What are the key properties of 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66378376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).