N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

C15H23N3O2S2 — CID 118766364

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2nc(C(C)(C)C)cs2)NC1=O
InChIInChI=1S/C15H23N3O2S2/c1-14(2,3)10-8-21-11(18-10)6-16-12(19)9-7-22-15(4,5)13(20)17-9/h8-9H,6-7H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyVZUWCGOVKHEGSW-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.07
Rot. Bonds3

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 118766364) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
PubChem CID118766364
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2nc(C(C)(C)C)cs2)NC1=O
InChIInChI=1S/C15H23N3O2S2/c1-14(2,3)10-8-21-11(18-10)6-16-12(19)9-7-22-15(4,5)13(20)17-9/h8-9H,6-7H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyVZUWCGOVKHEGSW-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (CID 118766364) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is CC1(C)SCC(C(=O)NCc2nc(C(C)(C)C)cs2)NC1=O.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is VZUWCGOVKHEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-14(2,3)10-8-21-11(18-10)6-16-12(19)9-7-22-15(4,5)13(20)17-9/h8-9H,6-7H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 118766364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).