propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C22H28FN3O3S — CID 169263376

IUPACpropan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(=O)N(C)c1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(F)c1
InChIInChI=1S/C22H28FN3O3S/c1-13(2)29-22(28)25-16-7-5-15(6-8-16)21-24-12-20(30-21)18-10-9-17(11-19(18)23)26(4)14(3)27/h9-13,15-16H,5-8H2,1-4H3,(H,25,28)
InChIKeyUELKTGZXKBNUHB-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.09
Rot. Bonds5

About propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 169263376) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
PubChem CID169263376
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Namepropan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(=O)N(C)c1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(F)c1
InChIInChI=1S/C22H28FN3O3S/c1-13(2)29-22(28)25-16-7-5-15(6-8-16)21-24-12-20(30-21)18-10-9-17(11-19(18)23)26(4)14(3)27/h9-13,15-16H,5-8H2,1-4H3,(H,25,28)
InChIKeyUELKTGZXKBNUHB-UHFFFAOYSA-N
XLogP5.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]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

4-[(4-Methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736860
Emzadirib
CID 137542570
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]nipecotamide
CID 24820094
N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10134297
[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-phenyl-1,3-thiazol-2-yl)ethyl]phenyl]sulfamic acid
CID 57943168
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727644
Pnu-176798
CID 10338562
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(1-hydroxy-1-methyl-ethyl)thiazol-5-yl]phenyl]oxazolidin-2-one
CID 129071184
Thiazol-5-ylmethyl (4-((1-(2,2,2-trifluoroethyl)piperidin-4-yl)methyl)phenyl)carbamate
CID 171824695
N-({(5s)-2-Oxo-3-[4-(1,3-Thiazol-5-Yl)phenyl]-1,3-Oxazolidin-5-Yl}methyl)acetamide
CID 129900336
N-[(S)-3-(3-Fluoro-4-thiazol-5-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 476961
N-[[(5S)-3-[4-(2-acetylthiazol-5-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476962

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 169263376) is propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(=O)N(C)c1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(F)c1.
What is the InChIKey of propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is UELKTGZXKBNUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-13(2)29-22(28)25-16-7-5-15(6-8-16)21-24-12-20(30-21)18-10-9-17(11-19(18)23)26(4)14(3)27/h9-13,15-16H,5-8H2,1-4H3,(H,25,28).
What are the key properties of propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 169263376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).