N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C14H9ClF3N3O4S2 — CID 87056208

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C14H9ClF3N3O4S2/c1-25-7-2-3-8(15)10(4-7)27(23,24)20-12(22)9-5-21-6-11(14(16,17)18)26-13(21)19-9/h2-6H,1H3,(H,20,22)
InChIKeySDIKAYOITVJNBQ-UHFFFAOYSA-N
MW439.82 g/mol
LogP3.20
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 87056208) has the molecular formula C14H9ClF3N3O4S2 and a molecular weight of 439.82 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID87056208
Molecular FormulaC14H9ClF3N3O4S2
Molecular Weight439.82 g/mol
Exact Mass438.97
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C14H9ClF3N3O4S2/c1-25-7-2-3-8(15)10(4-7)27(23,24)20-12(22)9-5-21-6-11(14(16,17)18)26-13(21)19-9/h2-6H,1H3,(H,20,22)
InChIKeySDIKAYOITVJNBQ-UHFFFAOYSA-N
XLogP3.20
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide with MolForge

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Related Compounds

N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 56952251
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,6-difluorophenyl)imidazole-4-carboxamide
CID 139453139
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)imidazole-4-carboxamide
CID 139453206
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
CID 139453244
N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 144779887
2-(2-Chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 157055828
8-bromo-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine-2-carboxamide
CID 173540111
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine-2-carboxamide
CID 173540113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 87056208) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is SDIKAYOITVJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O4S2/c1-25-7-2-3-8(15)10(4-7)27(23,24)20-12(22)9-5-21-6-11(14(16,17)18)26-13(21)19-9/h2-6H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 439.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 87056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).