N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

C14H15N3OS2 — CID 53167830

IUPACN-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2cn3c(n2)CSCC3)c1
InChIInChI=1S/C14H15N3OS2/c1-19-11-4-2-3-10(7-11)15-14(18)12-8-17-5-6-20-9-13(17)16-12/h2-4,7-8H,5-6,9H2,1H3,(H,15,18)
InChIKeyUYQUBVLAISVJEE-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.10
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167830) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167830
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2cn3c(n2)CSCC3)c1
InChIInChI=1S/C14H15N3OS2/c1-19-11-4-2-3-10(7-11)15-14(18)12-8-17-5-6-20-9-13(17)16-12/h2-4,7-8H,5-6,9H2,1H3,(H,15,18)
InChIKeyUYQUBVLAISVJEE-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-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-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167830) is N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is CSc1cccc(NC(=O)c2cn3c(n2)CSCC3)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is UYQUBVLAISVJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-19-11-4-2-3-10(7-11)15-14(18)12-8-17-5-6-20-9-13(17)16-12/h2-4,7-8H,5-6,9H2,1H3,(H,15,18).
What are the key properties of N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).