4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

C10H8ClN3OS — CID 81232495

IUPAC4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cscn1)c1cnccc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-9-1-2-12-4-8(9)10(15)13-3-7-5-16-6-14-7/h1-2,4-6H,3H2,(H,13,15)
InChIKeyADXFDNBODGJJOP-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.12
Rot. Bonds3

About 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 81232495) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID81232495
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cscn1)c1cnccc1Cl
InChIInChI=1S/C10H8ClN3OS/c11-9-1-2-12-4-8(9)10(15)13-3-7-5-16-6-14-7/h1-2,4-6H,3H2,(H,13,15)
InChIKeyADXFDNBODGJJOP-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 105072187
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346153
5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 62186371
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (CID 81232495) is 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cscn1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ADXFDNBODGJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-9-1-2-12-4-8(9)10(15)13-3-7-5-16-6-14-7/h1-2,4-6H,3H2,(H,13,15).
What are the key properties of 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).