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

C15H12ClN5OS — CID 146128448

IUPAC5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1ncncc1Cl
InChIInChI=1S/C15H12ClN5OS/c16-10-7-17-9-20-14(10)15(22)19-6-4-13-21-12(8-23-13)11-3-1-2-5-18-11/h1-3,5,7-9H,4,6H2,(H,19,22)
InChIKeySGHYIJNDBDHKGE-UHFFFAOYSA-N
MW345.81 g/mol
LogP2.62
Rot. Bonds5

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

5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 146128448) has the molecular formula C15H12ClN5OS and a molecular weight of 345.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID146128448
Molecular FormulaC15H12ClN5OS
Molecular Weight345.81 g/mol
Exact Mass345.05
IUPAC Name5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1ncncc1Cl
InChIInChI=1S/C15H12ClN5OS/c16-10-7-17-9-20-14(10)15(22)19-6-4-13-21-12(8-23-13)11-3-1-2-5-18-11/h1-3,5,7-9H,4,6H2,(H,19,22)
InChIKeySGHYIJNDBDHKGE-UHFFFAOYSA-N
XLogP2.62
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 167856468
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
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-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
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]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (CID 146128448) is 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1nc(-c2ccccn2)cs1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is SGHYIJNDBDHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c16-10-7-17-9-20-14(10)15(22)19-6-4-13-21-12(8-23-13)11-3-1-2-5-18-11/h1-3,5,7-9H,4,6H2,(H,19,22).
What are the key properties of 5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 345.81 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyrimidine-4-carboxamide is sourced from PubChem (CID 146128448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).