[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

C17H21N3O2S2 — CID 47893545

IUPAC[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C17H21N3O2S2/c1-17(2,3)16-18-10-13(24-16)15(22)20-7-5-19(6-8-20)14(21)12-4-9-23-11-12/h4,9-11H,5-8H2,1-3H3
InChIKeyQDYOAJKPFOAVBB-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.10
Rot. Bonds2

About [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 47893545) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID47893545
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C17H21N3O2S2/c1-17(2,3)16-18-10-13(24-16)15(22)20-7-5-19(6-8-20)14(21)12-4-9-23-11-12/h4,9-11H,5-8H2,1-3H3
InChIKeyQDYOAJKPFOAVBB-UHFFFAOYSA-N
XLogP3.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 138000124
5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
CID 166235745
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47897487
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99806155
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110114467
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 47893545) is [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is CC(C)(C)c1ncc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)s1.
What is the InChIKey of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is QDYOAJKPFOAVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-17(2,3)16-18-10-13(24-16)15(22)20-7-5-19(6-8-20)14(21)12-4-9-23-11-12/h4,9-11H,5-8H2,1-3H3.
What are the key properties of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 363.51 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 47893545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).