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

C20H25N3OS — CID 90567197

IUPAC(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)s1
InChIInChI=1S/C20H25N3OS/c1-14-19(25-15(2)21-14)20(24)23-11-10-22(17-8-9-17)13-18(23)12-16-6-4-3-5-7-16/h3-7,17-18H,8-13H2,1-2H3
InChIKeyBAEPRAJTXGNRTN-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.29
Rot. Bonds4

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

(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 90567197) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID90567197
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)s1
InChIInChI=1S/C20H25N3OS/c1-14-19(25-15(2)21-14)20(24)23-11-10-22(17-8-9-17)13-18(23)12-16-6-4-3-5-7-16/h3-7,17-18H,8-13H2,1-2H3
InChIKeyBAEPRAJTXGNRTN-UHFFFAOYSA-N
XLogP3.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-benzyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide
CID 18319930
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
[(2R)-2-benzylpyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 32825320
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 133128302
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
[(2S)-2,4-dibenzylpiperazin-1-yl]-[2-(2-methoxyanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 11989770

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 90567197) is (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCN(C3CC3)CC2Cc2ccccc2)s1.
What is the InChIKey of (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BAEPRAJTXGNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-14-19(25-15(2)21-14)20(24)23-11-10-22(17-8-9-17)13-18(23)12-16-6-4-3-5-7-16/h3-7,17-18H,8-13H2,1-2H3.
What are the key properties of (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 355.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 90567197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).