1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone

C20H25N3O2S — CID 59337830

IUPAC1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-13(2)22-8-10-23(11-9-22)20(25)18-14(3)21-19(26-18)17-7-5-6-16(12-17)15(4)24/h5-7,12-13H,8-11H2,1-4H3
InChIKeySJACYQLCSFFAFA-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.49
Rot. Bonds4

About 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone

1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone (PubChem CID 59337830) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
PubChem CID59337830
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-13(2)22-8-10-23(11-9-22)20(25)18-14(3)21-19(26-18)17-7-5-6-16(12-17)15(4)24/h5-7,12-13H,8-11H2,1-4H3
InChIKeySJACYQLCSFFAFA-UHFFFAOYSA-N
XLogP3.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338506
[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338234
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59337994
(3-methoxyphenyl)-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55574894
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 32889545
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
2-methyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 18159950
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
[4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 38047143

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone (CID 59337830) is 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c1.
What is the InChIKey of 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The InChIKey is SJACYQLCSFFAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13(2)22-8-10-23(11-9-22)20(25)18-14(3)21-19(26-18)17-7-5-6-16(12-17)15(4)24/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone has a molecular weight of 371.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 59337830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).