5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide

C18H16FN5O2S — CID 71621788

IUPAC5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C18H16FN5O2S/c1-9-2-7-12(19)13(8-9)23-18(26)22-11-5-3-10(4-6-11)15-14(16(20)25)17(21)27-24-15/h2-8H,21H2,1H3,(H2,20,25)(H2,22,23,26)
InChIKeyVJYLJSYNDVZYLY-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.58
Rot. Bonds4

About 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide

5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 71621788) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
PubChem CID71621788
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C18H16FN5O2S/c1-9-2-7-12(19)13(8-9)23-18(26)22-11-5-3-10(4-6-11)15-14(16(20)25)17(21)27-24-15/h2-8H,21H2,1H3,(H2,20,25)(H2,22,23,26)
InChIKeyVJYLJSYNDVZYLY-UHFFFAOYSA-N
XLogP3.58
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-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 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide (CID 71621788) is 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)c1.
What is the InChIKey of 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is VJYLJSYNDVZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-9-2-7-12(19)13(8-9)23-18(26)22-11-5-3-10(4-6-11)15-14(16(20)25)17(21)27-24-15/h2-8H,21H2,1H3,(H2,20,25)(H2,22,23,26).
What are the key properties of 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71621788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).