N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C17H14ClN3OS — CID 23644830

IUPACN-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H14ClN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyOHULTBSHVBNCQY-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.23
Rot. Bonds5

About N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644830) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644830
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H14ClN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyOHULTBSHVBNCQY-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644830) is N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OHULTBSHVBNCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).