2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H15ClF3N3O2S2 — CID 168583911

IUPAC2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1ccc(NCc2cnc(Cl)s2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15ClF3N3O2S2/c20-18-25-10-16(30-18)9-24-12-3-7-15(8-4-12)29-11-17(27)26-13-1-5-14(6-2-13)28-19(21,22)23/h1-8,10,24H,9,11H2,(H,26,27)
InChIKeyPWLSKBXONQOVPO-UHFFFAOYSA-N
MW473.93 g/mol
LogP6.04
Rot. Bonds8

About 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 168583911) has the molecular formula C19H15ClF3N3O2S2 and a molecular weight of 473.93 g/mol. Its IUPAC name is 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID168583911
Molecular FormulaC19H15ClF3N3O2S2
Molecular Weight473.93 g/mol
Exact Mass473.02
IUPAC Name2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1ccc(NCc2cnc(Cl)s2)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H15ClF3N3O2S2/c20-18-25-10-16(30-18)9-24-12-3-7-15(8-4-12)29-11-17(27)26-13-1-5-14(6-2-13)28-19(21,22)23/h1-8,10,24H,9,11H2,(H,26,27)
InChIKeyPWLSKBXONQOVPO-UHFFFAOYSA-N
XLogP6.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.93
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]aniline
CID 168583225
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 168583911) is 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1ccc(NCc2cnc(Cl)s2)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PWLSKBXONQOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2S2/c20-18-25-10-16(30-18)9-24-12-3-7-15(8-4-12)29-11-17(27)26-13-1-5-14(6-2-13)28-19(21,22)23/h1-8,10,24H,9,11H2,(H,26,27).
What are the key properties of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 473.93 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 168583911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).