N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C10H9N3OS — CID 63038083

IUPACN-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cscn1
InChIInChI=1S/C10H9N3OS/c14-10(9-6-15-7-13-9)12-5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,14)
InChIKeyYOCXCMXZYVERJM-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.47
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63038083) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID63038083
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cscn1
InChIInChI=1S/C10H9N3OS/c14-10(9-6-15-7-13-9)12-5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,14)
InChIKeyYOCXCMXZYVERJM-UHFFFAOYSA-N
XLogP1.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482293
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 63038083) is N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1cscn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YOCXCMXZYVERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(9-6-15-7-13-9)12-5-8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,14).
What are the key properties of N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).