4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

C19H15ClN4OS2 — CID 18268583

IUPAC4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnc(-c4ccc(Cl)cc4)o3)cs2)cc1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-8-15(9-3-12)21-18-22-16(10-26-18)11-27-19-24-23-17(25-19)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCNKWCCMRHDDPGW-UHFFFAOYSA-N
MW414.94 g/mol
LogP6.19
Rot. Bonds6

About 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 18268583) has the molecular formula C19H15ClN4OS2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID18268583
Molecular FormulaC19H15ClN4OS2
Molecular Weight414.94 g/mol
Exact Mass414.04
IUPAC Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnc(-c4ccc(Cl)cc4)o3)cs2)cc1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-8-15(9-3-12)21-18-22-16(10-26-18)11-27-19-24-23-17(25-19)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCNKWCCMRHDDPGW-UHFFFAOYSA-N
XLogP6.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
N-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 37140127
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7892282
N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 7651066
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9263800
N-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 55998030
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46435510
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 31460895
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-(4-chlorophenyl)-5-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 30051927

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 18268583) is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(Cl)cc4)o3)cs2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is CNKWCCMRHDDPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS2/c1-12-2-8-15(9-3-12)21-18-22-16(10-26-18)11-27-19-24-23-17(25-19)13-4-6-14(20)7-5-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 414.94 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18268583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).