3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide

C16H17FN4O2S2 — CID 67479307

IUPAC3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCN(C)c1nc(C(=O)N2CCSC2C(N)=O)c(-c2cccc(F)c2)s1
InChIInChI=1S/C16H17FN4O2S2/c1-20(2)16-19-11(12(25-16)9-4-3-5-10(17)8-9)14(23)21-6-7-24-15(21)13(18)22/h3-5,8,15H,6-7H2,1-2H3,(H2,18,22)
InChIKeyHKVYFXLDJVQIOZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.02
Rot. Bonds4

About 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide

3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 67479307) has the molecular formula C16H17FN4O2S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
PubChem CID67479307
Molecular FormulaC16H17FN4O2S2
Molecular Weight380.47 g/mol
Exact Mass380.08
IUPAC Name3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCN(C)c1nc(C(=O)N2CCSC2C(N)=O)c(-c2cccc(F)c2)s1
InChIInChI=1S/C16H17FN4O2S2/c1-20(2)16-19-11(12(25-16)9-4-3-5-10(17)8-9)14(23)21-6-7-24-15(21)13(18)22/h3-5,8,15H,6-7H2,1-2H3,(H2,18,22)
InChIKeyHKVYFXLDJVQIOZ-UHFFFAOYSA-N
XLogP2.02
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-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 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (CID 67479307) is 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is CN(C)c1nc(C(=O)N2CCSC2C(N)=O)c(-c2cccc(F)c2)s1.
What is the InChIKey of 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is HKVYFXLDJVQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S2/c1-20(2)16-19-11(12(25-16)9-4-3-5-10(17)8-9)14(23)21-6-7-24-15(21)13(18)22/h3-5,8,15H,6-7H2,1-2H3,(H2,18,22).
What are the key properties of 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 67479307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).