2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C10H13N5OS — CID 106212855

IUPAC2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)c1cn[nH]c1
InChIInChI=1S/C10H13N5OS/c1-6(7-3-12-13-4-7)14-10(16)8-5-17-9(2-11)15-8/h3-6H,2,11H2,1H3,(H,12,13)(H,14,16)
InChIKeyIBPNXSCWCVEPRK-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.82
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 106212855) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID106212855
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)c1cn[nH]c1
InChIInChI=1S/C10H13N5OS/c1-6(7-3-12-13-4-7)14-10(16)8-5-17-9(2-11)15-8/h3-6H,2,11H2,1H3,(H,12,13)(H,14,16)
InChIKeyIBPNXSCWCVEPRK-UHFFFAOYSA-N
XLogP0.82
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114158941
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(aminomethyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119741182
2-(aminomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119722070
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 106212855) is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CN)n1)c1cn[nH]c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IBPNXSCWCVEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6(7-3-12-13-4-7)14-10(16)8-5-17-9(2-11)15-8/h3-6H,2,11H2,1H3,(H,12,13)(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 251.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106212855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).