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

C10H13N5OS — CID 66376841

IUPAC2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(CN)n1
InChIInChI=1S/C10H13N5OS/c1-5-9(6(2)15-14-5)13-10(16)7-4-17-8(3-11)12-7/h4H,3,11H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMVNBTJSIXKORPK-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.19
Rot. Bonds3

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

2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66376841) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID66376841
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(CN)n1
InChIInChI=1S/C10H13N5OS/c1-5-9(6(2)15-14-5)13-10(16)7-4-17-8(3-11)12-7/h4H,3,11H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMVNBTJSIXKORPK-UHFFFAOYSA-N
XLogP1.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 66376841) is 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MVNBTJSIXKORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-5-9(6(2)15-14-5)13-10(16)7-4-17-8(3-11)12-7/h4H,3,11H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).