4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide

C14H16FN3OS — CID 53335719

IUPAC4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C14H16FN3OS/c1-8(2)7-17-14(19)13-11(16)12(18-20-13)9-3-5-10(15)6-4-9/h3-6,8H,7,16H2,1-2H3,(H,17,19)
InChIKeyOOEKTCIJYUOTDU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide

4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide (PubChem CID 53335719) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
PubChem CID53335719
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C14H16FN3OS/c1-8(2)7-17-14(19)13-11(16)12(18-20-13)9-3-5-10(15)6-4-9/h3-6,8H,7,16H2,1-2H3,(H,17,19)
InChIKeyOOEKTCIJYUOTDU-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-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

Related Compounds

methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53169222
4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906101
4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 52906123
4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
CID 52906064
4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906086
4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53335799
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53134287
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
4-amino-N-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,2-thiazole-5-carboxamide
CID 98099610
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide (CID 53335719) is 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide is CC(C)CNC(=O)c1snc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The InChIKey is OOEKTCIJYUOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-8(2)7-17-14(19)13-11(16)12(18-20-13)9-3-5-10(15)6-4-9/h3-6,8H,7,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53335719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).