N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide

C15H18ClFN4OS2 — CID 142420273

IUPACN-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCS1(C)NC(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2nccs2)N1
InChIInChI=1S/C15H18ClFN4OS2/c1-24(2)20-12(8-13(21-24)15-18-5-6-23-15)14(22)19-9-3-4-11(17)10(16)7-9/h3-7,12-13,20-21H,8H2,1-2H3,(H,19,22)
InChIKeyMWMCKQLLRIXEDG-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.46
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 142420273) has the molecular formula C15H18ClFN4OS2 and a molecular weight of 388.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
PubChem CID142420273
Molecular FormulaC15H18ClFN4OS2
Molecular Weight388.92 g/mol
Exact Mass388.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCS1(C)NC(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2nccs2)N1
InChIInChI=1S/C15H18ClFN4OS2/c1-24(2)20-12(8-13(21-24)15-18-5-6-23-15)14(22)19-9-3-4-11(17)10(16)7-9/h3-7,12-13,20-21H,8H2,1-2H3,(H,19,22)
InChIKeyMWMCKQLLRIXEDG-UHFFFAOYSA-N
XLogP3.46
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-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-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide (CID 142420273) is N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide is CS1(C)NC(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2nccs2)N1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is MWMCKQLLRIXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4OS2/c1-24(2)20-12(8-13(21-24)15-18-5-6-23-15)14(22)19-9-3-4-11(17)10(16)7-9/h3-7,12-13,20-21H,8H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1,1-dimethyl-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 142420273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).