7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine

C17H19ClN4S2 — CID 142915590

IUPAC7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESS=c1cc[nH]c2cc(Cl)ccc12.c1nnc(NC2CCCCC2)s1
InChIInChI=1S/C9H6ClNS.C8H13N3S/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-5H,(H,11,12);6-7H,1-5H2,(H,10,11)
InChIKeyYSATZCVGFFUYKN-UHFFFAOYSA-N
MW378.95 g/mol
LogP5.83
Rot. Bonds2

About 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine

7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine (PubChem CID 142915590) has the molecular formula C17H19ClN4S2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine
PubChem CID142915590
Molecular FormulaC17H19ClN4S2
Molecular Weight378.95 g/mol
Exact Mass378.07
IUPAC Name7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESS=c1cc[nH]c2cc(Cl)ccc12.c1nnc(NC2CCCCC2)s1
InChIInChI=1S/C9H6ClNS.C8H13N3S/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-5H,(H,11,12);6-7H,1-5H2,(H,10,11)
InChIKeyYSATZCVGFFUYKN-UHFFFAOYSA-N
XLogP5.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(5-chloro-2-methylphenyl)urea
CID 16016648
2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 90035948
5-[(7-Chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 142915595
N-[4-[(4-chlorophenyl)methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 148587480
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 4853778
1-(5-Chloro-2-methylphenyl)-3-{5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-YL}urea
CID 22510833
N-(5-chloro-2-methylphenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 36540802
N-(5-chloro-2-methylphenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46617410
N-(5-chloro-2-cyanophenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 112783175
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 133936548

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine (CID 142915590) is 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine is S=c1cc[nH]c2cc(Cl)ccc12.c1nnc(NC2CCCCC2)s1.
What is the InChIKey of 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YSATZCVGFFUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS.C8H13N3S/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-5H,(H,11,12);6-7H,1-5H2,(H,10,11).
What are the key properties of 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine?
7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine has a molecular weight of 378.95 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 142915590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).