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

C17H25N3O3S — CID 47718878

IUPAC[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C17H25N3O3S/c1-17(2,3)16-18-11-13(24-16)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-23-12/h11-12H,4-10H2,1-3H3
InChIKeyPEWKTNAWKRBFNN-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.90
Rot. Bonds2

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

[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 47718878) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID47718878
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C17H25N3O3S/c1-17(2,3)16-18-11-13(24-16)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-23-12/h11-12H,4-10H2,1-3H3
InChIKeyPEWKTNAWKRBFNN-UHFFFAOYSA-N
XLogP1.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-methoxyethyl)-N-(1,3-thiazol-5-ylmethyl)oxolane-2-carboxamide
CID 128167024
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164641873
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
CID 47073754
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47398558
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432522
2-tert-butyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47721868
2-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 48363372
[4-(2-Ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 48572432
1-[4-(2-Ethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 48577896
(3-Ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 48580337

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 47718878) is [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)s1.
What is the InChIKey of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PEWKTNAWKRBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-17(2,3)16-18-11-13(24-16)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-23-12/h11-12H,4-10H2,1-3H3.
What are the key properties of [4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 1.90, 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 47718878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).