methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate

C18H17FN4O4S2 — CID 162757608

IUPACmethyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(NC(C)=O)cc3F)n2)s1
InChIInChI=1S/C18H17FN4O4S2/c1-8-16(29-15(21-8)6-20-18(26)27-3)13-7-28-17(23-13)10-4-14(25)12(5-11(10)19)22-9(2)24/h4-5,7,25H,6H2,1-3H3,(H,20,26)(H,22,24)
InChIKeyIIQNSLLDPCHAKR-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.90
Rot. Bonds5

About methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate

methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 162757608) has the molecular formula C18H17FN4O4S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID162757608
Molecular FormulaC18H17FN4O4S2
Molecular Weight436.49 g/mol
Exact Mass436.07
IUPAC Namemethyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(NC(C)=O)cc3F)n2)s1
InChIInChI=1S/C18H17FN4O4S2/c1-8-16(29-15(21-8)6-20-18(26)27-3)13-7-28-17(23-13)10-4-14(25)12(5-11(10)19)22-9(2)24/h4-5,7,25H,6H2,1-3H3,(H,20,26)(H,22,24)
InChIKeyIIQNSLLDPCHAKR-UHFFFAOYSA-N
XLogP3.90
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate 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

5-fluoro-2-hydroxy-4-[4-[2-[[(2-methoxy-2-oxoacetyl)amino]methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
CID 162757423
N-[[5-[2-(6-fluoro-2H-benzotriazol-5-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 169320259
5-fluoro-2-hydroxy-4-[4-[2-[(1S)-1-(methoxycarbonylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
CID 162757243
3-hydroxy-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 162757730
5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrazin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
CID 162757094
N-[[5-[2-(3-amino-5-fluoro-4-hydrazinylphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 162757464
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone
CID 159737921
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
CID 162757153

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate (CID 162757608) is methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate is COC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(NC(C)=O)cc3F)n2)s1.
What is the InChIKey of methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is IIQNSLLDPCHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S2/c1-8-16(29-15(21-8)6-20-18(26)27-3)13-7-28-17(23-13)10-4-14(25)12(5-11(10)19)22-9(2)24/h4-5,7,25H,6H2,1-3H3,(H,20,26)(H,22,24).
What are the key properties of methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate?
methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 436.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-[2-(4-acetamido-2-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 162757608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).