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

C27H31FN6O5S — CID 142031922

IUPACtert-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
SMILESCCc1cc(Nc2nc(N)c(-c3nc(-c4cc(NC(=O)OC(C)(C)C)c(OC)cc4F)no3)s2)cc(C)c1OC
InChIInChI=1S/C27H31FN6O5S/c1-8-14-10-15(9-13(2)20(14)37-7)30-25-32-22(29)21(40-25)24-33-23(34-39-24)16-11-18(19(36-6)12-17(16)28)31-26(35)38-27(3,4)5/h9-12H,8,29H2,1-7H3,(H,30,32)(H,31,35)
InChIKeyFXCWMOVFDPDMCZ-UHFFFAOYSA-N
MW570.65 g/mol
LogP6.56
Rot. Bonds8

About 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

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 (PubChem CID 142031922) has the molecular formula C27H31FN6O5S and a molecular weight of 570.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID142031922
Molecular FormulaC27H31FN6O5S
Molecular Weight570.65 g/mol
Exact Mass570.21
IUPAC Nametert-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
SMILESCCc1cc(Nc2nc(N)c(-c3nc(-c4cc(NC(=O)OC(C)(C)C)c(OC)cc4F)no3)s2)cc(C)c1OC
InChIInChI=1S/C27H31FN6O5S/c1-8-14-10-15(9-13(2)20(14)37-7)30-25-32-22(29)21(40-25)24-33-23(34-39-24)16-11-18(19(36-6)12-17(16)28)31-26(35)38-27(3,4)5/h9-12H,8,29H2,1-7H3,(H,30,32)(H,31,35)
InChIKeyFXCWMOVFDPDMCZ-UHFFFAOYSA-N
XLogP6.56
TPSA146.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 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

N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-2-(ethylamino)benzamide
CID 21358439
[4-amino-5-[3-[2,4-difluoro-5-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]urea
CID 142031975
tert-butyl N-[3-[5-[4-amino-2-[4-(pyrrolidin-1-ylmethyl)anilino]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]carbamate
CID 21358713
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 21358465
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 21358486
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-4-oxopyran-2-carboxamide
CID 21358472
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-2-(cyclohexen-1-yl)-2-oxoacetamide
CID 21358414
(2S)-N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-2-methoxy-2-phenylacetamide
CID 59093926
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-methylphenyl]-4-methyl-6-oxopyran-2-carboxamide
CID 21358469
5-[3-(5-amino-2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 22994068
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-chlorophenyl]-3-chlorobenzamide
CID 21358406
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-chlorophenyl]-3-methoxybenzamide
CID 21358407

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(Nc2nc(N)c(-c3nc(-c4cc(NC(=O)OC(C)(C)C)c(OC)cc4F)no3)s2)cc(C)c1OC.
What is the InChIKey of 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?
The InChIKey is FXCWMOVFDPDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O5S/c1-8-14-10-15(9-13(2)20(14)37-7)30-25-32-22(29)21(40-25)24-33-23(34-39-24)16-11-18(19(36-6)12-17(16)28)31-26(35)38-27(3,4)5/h9-12H,8,29H2,1-7H3,(H,30,32)(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 570.65 g/mol, XLogP of 6.56, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142031922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).