N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C18H16ClFN4OS2 — CID 24519534

IUPACN-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Sc1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C18H16ClFN4OS2/c1-10-3-4-12(19)9-15(10)22-16(25)11(2)26-18-24-23-17(27-18)21-14-7-5-13(20)6-8-14/h3-9,11H,1-2H3,(H,21,23)(H,22,25)
InChIKeyJPPINDGYVWOMGU-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.50
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 24519534) has the molecular formula C18H16ClFN4OS2 and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID24519534
Molecular FormulaC18H16ClFN4OS2
Molecular Weight422.94 g/mol
Exact Mass422.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)Sc1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C18H16ClFN4OS2/c1-10-3-4-12(19)9-15(10)22-16(25)11(2)26-18-24-23-17(27-18)21-14-7-5-13(20)6-8-14/h3-9,11H,1-2H3,(H,21,23)(H,22,25)
InChIKeyJPPINDGYVWOMGU-UHFFFAOYSA-N
XLogP5.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2S)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 8939030
(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 2106088
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 4603468
N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
(2R)-N-(2-chlorophenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972242
N-(4-chlorophenyl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 3879773
(2R)-N-(2,5-dichlorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8910854
(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972288
2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
CID 16570728
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 52508929
(2R)-N-(2-fluorophenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 2617383
(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 40705234

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 24519534) is N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)Sc1nnc(Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is JPPINDGYVWOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4OS2/c1-10-3-4-12(19)9-15(10)22-16(25)11(2)26-18-24-23-17(27-18)21-14-7-5-13(20)6-8-14/h3-9,11H,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 422.94 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 24519534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).