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

C9H11N5OS — CID 66377879

IUPAC2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nccc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C9H11N5OS/c1-14-7(2-3-11-14)13-9(15)6-5-16-8(4-10)12-6/h2-3,5H,4,10H2,1H3,(H,13,15)
InChIKeyFONZWAIUABAELE-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.59
Rot. Bonds3

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

2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66377879) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID66377879
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nccc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C9H11N5OS/c1-14-7(2-3-11-14)13-9(15)6-5-16-8(4-10)12-6/h2-3,5H,4,10H2,1H3,(H,13,15)
InChIKeyFONZWAIUABAELE-UHFFFAOYSA-N
XLogP0.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66378376
2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 103006505
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-(aminomethyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671516
2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66372657
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 107625791
2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide
CID 114387899
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 66377879) is 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is Cn1nccc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FONZWAIUABAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-14-7(2-3-11-14)13-9(15)6-5-16-8(4-10)12-6/h2-3,5H,4,10H2,1H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.59, 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-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).