4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide

C19H18ClN5OS — CID 175859673

IUPAC4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc(-c3ccccc3Cl)cs2)c(N2CCNCC2)cn1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-2-1-3-12(14)16-11-27-19(24-16)13-9-15(18(21)26)23-10-17(13)25-7-5-22-6-8-25/h1-4,9-11,22H,5-8H2,(H2,21,26)
InChIKeyFCQGXRKELFKBGU-UHFFFAOYSA-N
MW399.91 g/mol
LogP3.03
Rot. Bonds4

About 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide

4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 175859673) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID175859673
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc(-c3ccccc3Cl)cs2)c(N2CCNCC2)cn1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-2-1-3-12(14)16-11-27-19(24-16)13-9-15(18(21)26)23-10-17(13)25-7-5-22-6-8-25/h1-4,9-11,22H,5-8H2,(H2,21,26)
InChIKeyFCQGXRKELFKBGU-UHFFFAOYSA-N
XLogP3.03
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 175859708
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 162386847
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]pyridine-2-carboxamide
CID 175867074
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole
CID 82774541
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 162387018

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide (CID 175859673) is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide is NC(=O)c1cc(-c2nc(-c3ccccc3Cl)cs2)c(N2CCNCC2)cn1.
What is the InChIKey of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is FCQGXRKELFKBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c20-14-4-2-1-3-12(14)16-11-27-19(24-16)13-9-15(18(21)26)23-10-17(13)25-7-5-22-6-8-25/h1-4,9-11,22H,5-8H2,(H2,21,26).
What are the key properties of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide?
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 399.91 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 175859673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).