[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

C19H18ClN5OS — CID 90509751

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)18(26)16-13-27-19(22-16)23-17-6-1-2-7-21-17/h1-7,12-13H,8-11H2,(H,21,22,23)
InChIKeyYSJPYKDPUFAHJM-UHFFFAOYSA-N
MW399.91 g/mol
LogP3.90
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 90509751) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
PubChem CID90509751
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN5OS/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)18(26)16-13-27-19(22-16)23-17-6-1-2-7-21-17/h1-7,12-13H,8-11H2,(H,21,22,23)
InChIKeyYSJPYKDPUFAHJM-UHFFFAOYSA-N
XLogP3.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509886
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955185
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53161120
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509872
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 166210293
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (CID 90509751) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is O=C(c1csc(Nc2ccccn2)n1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is YSJPYKDPUFAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c20-14-4-3-5-15(12-14)24-8-10-25(11-9-24)18(26)16-13-27-19(22-16)23-17-6-1-2-7-21-17/h1-7,12-13H,8-11H2,(H,21,22,23).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 399.91 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 90509751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).