N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide

C14H16FN3O3S2 — CID 100773575

IUPACN-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O3S2/c1-9-12(22-14(16-9)18(3)23(4,20)21)13(19)17(2)11-7-5-10(15)6-8-11/h5-8H,1-4H3
InChIKeySOXSHTCBMBTZOE-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.26
Rot. Bonds4

About N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide

N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 100773575) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID100773575
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC NameN-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O3S2/c1-9-12(22-14(16-9)18(3)23(4,20)21)13(19)17(2)11-7-5-10(15)6-8-11/h5-8H,1-4H3
InChIKeySOXSHTCBMBTZOE-UHFFFAOYSA-N
XLogP2.26
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-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-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide (CID 100773575) is N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SOXSHTCBMBTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-9-12(22-14(16-9)18(3)23(4,20)21)13(19)17(2)11-7-5-10(15)6-8-11/h5-8H,1-4H3.
What are the key properties of N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide?
N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100773575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).