[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone

C19H19N3OS2 — CID 168858578

IUPAC[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2csc(-c3ccc(-c4ccccc4)s3)n2)CCN1
InChIInChI=1S/C19H19N3OS2/c1-13-11-22(10-9-20-13)19(23)15-12-24-18(21-15)17-8-7-16(25-17)14-5-3-2-4-6-14/h2-8,12-13,20H,9-11H2,1H3/t13-/m0/s1
InChIKeyAIQUPJVDSGQRPM-ZDUSSCGKSA-N
MW369.52 g/mol
LogP3.97
Rot. Bonds3

About [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone

[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 168858578) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID168858578
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2csc(-c3ccc(-c4ccccc4)s3)n2)CCN1
InChIInChI=1S/C19H19N3OS2/c1-13-11-22(10-9-20-13)19(23)15-12-24-18(21-15)17-8-7-16(25-17)14-5-3-2-4-6-14/h2-8,12-13,20H,9-11H2,1H3/t13-/m0/s1
InChIKeyAIQUPJVDSGQRPM-ZDUSSCGKSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
(3-methylpiperazin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119580818
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
(3-methylpiperazin-1-yl)-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119579002
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 120569866
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
1-(3-methylpiperazin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 119580121

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone (CID 168858578) is [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone is C[C@H]1CN(C(=O)c2csc(-c3ccc(-c4ccccc4)s3)n2)CCN1.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is AIQUPJVDSGQRPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-13-11-22(10-9-20-13)19(23)15-12-24-18(21-15)17-8-7-16(25-17)14-5-3-2-4-6-14/h2-8,12-13,20H,9-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone?
[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 369.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 168858578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).