5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C16H13ClN4OS — CID 167856468

IUPAC5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cncc(Cl)c1
InChIInChI=1S/C16H13ClN4OS/c17-12-7-11(8-18-9-12)16(22)20-6-4-15-21-14(10-23-15)13-3-1-2-5-19-13/h1-3,5,7-10H,4,6H2,(H,20,22)
InChIKeyBLAYLGQAZNZWFP-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.23
Rot. Bonds5

About 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 167856468) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID167856468
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cncc(Cl)c1
InChIInChI=1S/C16H13ClN4OS/c17-12-7-11(8-18-9-12)16(22)20-6-4-15-21-14(10-23-15)13-3-1-2-5-19-13/h1-3,5,7-10H,4,6H2,(H,20,22)
InChIKeyBLAYLGQAZNZWFP-UHFFFAOYSA-N
XLogP3.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 167856468) is 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1nc(-c2ccccn2)cs1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BLAYLGQAZNZWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-12-7-11(8-18-9-12)16(22)20-6-4-15-21-14(10-23-15)13-3-1-2-5-19-13/h1-3,5,7-10H,4,6H2,(H,20,22).
What are the key properties of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 167856468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).