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

C17H15ClN2S2 — CID 7892282

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H15ClN2S2/c1-12-2-6-14(7-3-12)19-17-20-15(11-22-17)10-21-16-8-4-13(18)5-9-16/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRISBUABBRIYEEC-UHFFFAOYSA-N
MW346.91 g/mol
LogP6.14
Rot. Bonds5

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

4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 7892282) has the molecular formula C17H15ClN2S2 and a molecular weight of 346.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID7892282
Molecular FormulaC17H15ClN2S2
Molecular Weight346.91 g/mol
Exact Mass346.04
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H15ClN2S2/c1-12-2-6-14(7-3-12)19-17-20-15(11-22-17)10-21-16-8-4-13(18)5-9-16/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRISBUABBRIYEEC-UHFFFAOYSA-N
XLogP6.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.91
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 18268583
N-(4-methylphenyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 7603403
2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
CID 123698759
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7830040
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
4-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 5181401
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 7668806
2-(4-chlorophenyl)-4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 46083230
4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7161395
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 7892282) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CSc3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is RISBUABBRIYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S2/c1-12-2-6-14(7-3-12)19-17-20-15(11-22-17)10-21-16-8-4-13(18)5-9-16/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 346.91 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 7892282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).