(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C17H21N3OS — CID 56813121

IUPAC(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-13(2)19-8-10-20(11-9-19)17(21)15-12-18-16(22-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyHLIHWESZWHNSDG-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.98
Rot. Bonds3

About (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 56813121) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID56813121
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-13(2)19-8-10-20(11-9-19)17(21)15-12-18-16(22-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyHLIHWESZWHNSDG-UHFFFAOYSA-N
XLogP2.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-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

[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55706631
[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 86990968
(3S,4S)-4-methyl-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952162
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 86991467
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 55704356
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 95589953
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 71847415
(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141110480
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
[2-(furan-3-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 84584448

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 56813121) is (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is HLIHWESZWHNSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13(2)19-8-10-20(11-9-19)17(21)15-12-18-16(22-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56813121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).