(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C14H15ClN4OS — CID 133328030

IUPAC(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H15ClN4OS/c1-10-16-14(21-17-10)19-7-5-18(6-8-19)13(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8H2,1H3
InChIKeyYCJYSSKHGKWMPW-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.46
Rot. Bonds2

About (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 133328030) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID133328030
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C14H15ClN4OS/c1-10-16-14(21-17-10)19-7-5-18(6-8-19)13(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8H2,1H3
InChIKeyYCJYSSKHGKWMPW-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-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

(3-chlorophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 133328581
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3-chlorophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25320248

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 133328030) is (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is YCJYSSKHGKWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-10-16-14(21-17-10)19-7-5-18(6-8-19)13(20)11-3-2-4-12(15)9-11/h2-4,9H,5-8H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 322.82 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133328030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).