2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C10H10N4OS — CID 82171914

IUPAC2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C10H10N4OS/c11-10-14-6-8(16-10)9(15)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,14)(H,13,15)
InChIKeyFXXMWMJMCWRTHP-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.05
Rot. Bonds3

About 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 82171914) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID82171914
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCc2cccnc2)s1
InChIInChI=1S/C10H10N4OS/c11-10-14-6-8(16-10)9(15)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,14)(H,13,15)
InChIKeyFXXMWMJMCWRTHP-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117090055
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
2-amino-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 843554
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 82171914) is 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)NCc2cccnc2)s1.
What is the InChIKey of 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FXXMWMJMCWRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-10-14-6-8(16-10)9(15)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,14)(H,13,15).
What are the key properties of 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).