4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C20H18ClN5O2S — CID 78875159

IUPAC4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H18ClN5O2S/c21-16-5-1-3-14(11-16)18(27)25-7-9-26(10-8-25)20(28)24-19-23-17(13-29-19)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H,23,24,28)
InChIKeyJBAACDRNEFGLTR-UHFFFAOYSA-N
MW427.92 g/mol
LogP3.85
Rot. Bonds3

About 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 78875159) has the molecular formula C20H18ClN5O2S and a molecular weight of 427.92 g/mol. Its IUPAC name is 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID78875159
Molecular FormulaC20H18ClN5O2S
Molecular Weight427.92 g/mol
Exact Mass427.09
IUPAC Name4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H18ClN5O2S/c21-16-5-1-3-14(11-16)18(27)25-7-9-26(10-8-25)20(28)24-19-23-17(13-29-19)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H,23,24,28)
InChIKeyJBAACDRNEFGLTR-UHFFFAOYSA-N
XLogP3.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.92
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875156
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820
4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71936882
4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 59486313
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 78875159) is 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JBAACDRNEFGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2S/c21-16-5-1-3-14(11-16)18(27)25-7-9-26(10-8-25)20(28)24-19-23-17(13-29-19)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H,23,24,28).
What are the key properties of 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 427.92 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78875159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).