(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

C18H23N3OS — CID 72938463

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(C)CC2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-3-7-17-19-15(13-23-17)18(22)21-11-10-20(2)12-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeyGPPSGRMQNZOHKY-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.22
Rot. Bonds4

About (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 72938463) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID72938463
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(C)CC2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-3-7-17-19-15(13-23-17)18(22)21-11-10-20(2)12-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3
InChIKeyGPPSGRMQNZOHKY-UHFFFAOYSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 51266752
[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 133120512
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
[2-(3-methoxyphenyl)azetidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 74243587
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 51266707
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (CID 72938463) is (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCN(C)CC2c2ccccc2)cs1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is GPPSGRMQNZOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-7-17-19-15(13-23-17)18(22)21-11-10-20(2)12-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72938463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).