N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

C15H19ClN2O2S2 — CID 6623592

IUPACN-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCCCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S2/c1-2-3-8-18(12-6-4-11(16)5-7-12)15-17-13-9-22(19,20)10-14(13)21-15/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyXYFVLRWGIMTWFQ-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.21
Rot. Bonds4

About N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (PubChem CID 6623592) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
PubChem CID6623592
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC NameN-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCCCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S2/c1-2-3-8-18(12-6-4-11(16)5-7-12)15-17-13-9-22(19,20)10-14(13)21-15/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyXYFVLRWGIMTWFQ-UHFFFAOYSA-N
XLogP3.21
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 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-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (CID 6623592) is N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is CCCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The InChIKey is XYFVLRWGIMTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-2-3-8-18(12-6-4-11(16)5-7-12)15-17-13-9-22(19,20)10-14(13)21-15/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine has a molecular weight of 358.92 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 6623592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).