N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide

C17H15ClN4OS — CID 59580699

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
SMILESCCN(C(=O)Cc1ccncc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H15ClN4OS/c1-2-22(14(23)10-12-5-8-19-9-6-12)17-15(18)21-16(24-17)13-4-3-7-20-11-13/h3-9,11H,2,10H2,1H3
InChIKeyVTYVYHWULIQLML-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.85
Rot. Bonds5

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide (PubChem CID 59580699) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
PubChem CID59580699
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
SMILESCCN(C(=O)Cc1ccncc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H15ClN4OS/c1-2-22(14(23)10-12-5-8-19-9-6-12)17-15(18)21-16(24-17)13-4-3-7-20-11-13/h3-9,11H,2,10H2,1H3
InChIKeyVTYVYHWULIQLML-UHFFFAOYSA-N
XLogP3.85
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide (CID 59580699) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide is CCN(C(=O)Cc1ccncc1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide?
The InChIKey is VTYVYHWULIQLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-2-22(14(23)10-12-5-8-19-9-6-12)17-15(18)21-16(24-17)13-4-3-7-20-11-13/h3-9,11H,2,10H2,1H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide has a molecular weight of 358.85 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 59580699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).