[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate

C24H23ClF2N4O4S — CID 175372464

IUPAC[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate
SMILESCc1cc(-c2nc3c(Cl)cc(OC(COC(N)=O)C(C)(C)C)cc3s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C24H23ClF2N4O4S/c1-11-5-13(19-15(6-11)30-18(9-29-19)35-22(26)27)21-31-20-14(25)7-12(8-16(20)36-21)34-17(24(2,3)4)10-33-23(28)32/h5-9,17,22H,10H2,1-4H3,(H2,28,32)
InChIKeyHFVNDIHPMODMBV-UHFFFAOYSA-N
MW536.99 g/mol
LogP6.36
Rot. Bonds7

About [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate

[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate (PubChem CID 175372464) has the molecular formula C24H23ClF2N4O4S and a molecular weight of 536.99 g/mol. Its IUPAC name is [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate.

Molecular Properties

Compound Name[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate
PubChem CID175372464
Molecular FormulaC24H23ClF2N4O4S
Molecular Weight536.99 g/mol
Exact Mass536.11
IUPAC Name[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate
SMILESCc1cc(-c2nc3c(Cl)cc(OC(COC(N)=O)C(C)(C)C)cc3s2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C24H23ClF2N4O4S/c1-11-5-13(19-15(6-11)30-18(9-29-19)35-22(26)27)21-31-20-14(25)7-12(8-16(20)36-21)34-17(24(2,3)4)10-33-23(28)32/h5-9,17,22H,10H2,1-4H3,(H2,28,32)
InChIKeyHFVNDIHPMODMBV-UHFFFAOYSA-N
XLogP6.36
TPSA109.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.99
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] 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

2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazole
CID 134175498
4-chloro-6-fluoro-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
CID 139522811
tert-butyl 2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 134181131
2-[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-thiazol-5-yl]-4-methylphenol
CID 137300952
tert-butyl N-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-7-yl]oxy]-N-ethylcarbamate
CID 175372454
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-4-yl-1,3-thiazole
CID 134175452
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
2,2,2-trifluoro-1-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134181452
2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134180622
2-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbonochloridate
CID 134180802

Frequently Asked Questions

What is the IUPAC name of [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate?
The IUPAC name of [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate (CID 175372464) is [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate.
What is the SMILES notation for [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate?
The canonical SMILES for [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate is Cc1cc(-c2nc3c(Cl)cc(OC(COC(N)=O)C(C)(C)C)cc3s2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate?
The InChIKey is HFVNDIHPMODMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O4S/c1-11-5-13(19-15(6-11)30-18(9-29-19)35-22(26)27)21-31-20-14(25)7-12(8-16(20)36-21)34-17(24(2,3)4)10-33-23(28)32/h5-9,17,22H,10H2,1-4H3,(H2,28,32).
What are the key properties of [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate?
[2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate has a molecular weight of 536.99 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-chloro-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-6-yl]oxy]-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 175372464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).