[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea

C13H11F2N7O2S — CID 142031975

IUPAC[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea
SMILESCNc1cc(-c2noc(-c3sc(NC(N)=O)nc3N)n2)c(F)cc1F
InChIInChI=1S/C13H11F2N7O2S/c1-18-7-2-4(5(14)3-6(7)15)10-20-11(24-22-10)8-9(16)19-13(25-8)21-12(17)23/h2-3,18H,16H2,1H3,(H3,17,19,21,23)
InChIKeyZFKAPCQMQBXEOE-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.25
Rot. Bonds4

About [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea

[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea (PubChem CID 142031975) has the molecular formula C13H11F2N7O2S and a molecular weight of 367.34 g/mol. Its IUPAC name is [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea
PubChem CID142031975
Molecular FormulaC13H11F2N7O2S
Molecular Weight367.34 g/mol
Exact Mass367.07
IUPAC Name[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea
SMILESCNc1cc(-c2noc(-c3sc(NC(N)=O)nc3N)n2)c(F)cc1F
InChIInChI=1S/C13H11F2N7O2S/c1-18-7-2-4(5(14)3-6(7)15)10-20-11(24-22-10)8-9(16)19-13(25-8)21-12(17)23/h2-3,18H,16H2,1H3,(H3,17,19,21,23)
InChIKeyZFKAPCQMQBXEOE-UHFFFAOYSA-N
XLogP2.25
TPSA144.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea 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

[[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]carbamoylamino]methanesulfinic acid;3-methoxybenzaldehyde
CID 142032175
N-[5-[5-[4-amino-2-(3-methylbutylcarbamoylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358693
N-[5-[5-[4-amino-2-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358664
N-[5-[5-[4-amino-2-(2-pyridin-4-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358646
N-[5-[5-[4-amino-2-(pyridin-3-ylmethylcarbamoylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 22994040
N-[5-[5-[4-amino-2-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358686
tert-butyl N-[5-[5-[4-amino-2-(3-ethyl-4-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methoxyphenyl]carbamate
CID 142031922
N-[5-[5-[4-amino-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358666
N-[2,4-difluoro-5-[5-[2-methyl-4-(methylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-methoxybenzamide
CID 142032067
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
N-[5-[2-[4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358622

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea?
The IUPAC name of [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea (CID 142031975) is [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea is CNc1cc(-c2noc(-c3sc(NC(N)=O)nc3N)n2)c(F)cc1F.
What is the InChIKey of [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea?
The InChIKey is ZFKAPCQMQBXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N7O2S/c1-18-7-2-4(5(14)3-6(7)15)10-20-11(24-22-10)8-9(16)19-13(25-8)21-12(17)23/h2-3,18H,16H2,1H3,(H3,17,19,21,23).
What are the key properties of [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea?
[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea has a molecular weight of 367.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 142031975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).