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

C14H9ClF3N3O3S2 — CID 144779887

IUPACN-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C14H9ClF3N3O3S2/c1-24-7-2-3-8(15)10(4-7)26(23)20-12(22)9-5-21-6-11(14(16,17)18)25-13(21)19-9/h2-6H,1H3,(H,20,22)
InChIKeyQHIXAENSXCMULO-UHFFFAOYSA-N
MW423.83 g/mol
LogP3.53
Rot. Bonds4

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

N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 144779887) has the molecular formula C14H9ClF3N3O3S2 and a molecular weight of 423.83 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID144779887
Molecular FormulaC14H9ClF3N3O3S2
Molecular Weight423.83 g/mol
Exact Mass422.97
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1
InChIInChI=1S/C14H9ClF3N3O3S2/c1-24-7-2-3-8(15)10(4-7)26(23)20-12(22)9-5-21-6-11(14(16,17)18)25-13(21)19-9/h2-6H,1H3,(H,20,22)
InChIKeyQHIXAENSXCMULO-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799938
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391
N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 174167775
6,8-dichloro-N-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56689841
N-[2-(3,4-dichloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
CID 2729388
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798652
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 1335728
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 139453023

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 144779887) is N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(Cl)c(S(=O)NC(=O)c2cn3cc(C(F)(F)F)sc3n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QHIXAENSXCMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3S2/c1-24-7-2-3-8(15)10(4-7)26(23)20-12(22)9-5-21-6-11(14(16,17)18)25-13(21)19-9/h2-6H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 423.83 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfinyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 144779887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).