(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone

C16H19N3OS — CID 74232531

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCNC(c3ccccc3)C2)c(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-15(18-12(2)21-11)16(20)19-9-8-17-14(10-19)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3
InChIKeyIROWYKUESMIBPX-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.55
Rot. Bonds2

About (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone

(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone (PubChem CID 74232531) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
PubChem CID74232531
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCNC(c3ccccc3)C2)c(C)s1
InChIInChI=1S/C16H19N3OS/c1-11-15(18-12(2)21-11)16(20)19-9-8-17-14(10-19)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3
InChIKeyIROWYKUESMIBPX-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-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

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97140510
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
(2-methylphenyl)-(3-phenyl-1,4-diazepan-1-yl)methanone
CID 82251319
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 110465501
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
1-methyl-5-(3-phenylpiperazine-1-carbonyl)pyrrole-3-carbonitrile
CID 74246738
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone (CID 74232531) is (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCNC(c3ccccc3)C2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone?
The InChIKey is IROWYKUESMIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-15(18-12(2)21-11)16(20)19-9-8-17-14(10-19)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone has a molecular weight of 301.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 74232531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).