5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C12H11ClN4S2 — CID 142915595

IUPAC5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC1C=C(Sc2nnc(N)s2)c2ccc(Cl)cc2N1
InChIInChI=1S/C12H11ClN4S2/c1-6-4-10(18-12-17-16-11(14)19-12)8-3-2-7(13)5-9(8)15-6/h2-6,15H,1H3,(H2,14,16)
InChIKeyXSCLBTMUOINRGM-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.72
Rot. Bonds2

About 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 142915595) has the molecular formula C12H11ClN4S2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID142915595
Molecular FormulaC12H11ClN4S2
Molecular Weight310.84 g/mol
Exact Mass310.01
IUPAC Name5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC1C=C(Sc2nnc(N)s2)c2ccc(Cl)cc2N1
InChIInChI=1S/C12H11ClN4S2/c1-6-4-10(18-12-17-16-11(14)19-12)8-3-2-7(13)5-9(8)15-6/h2-6,15H,1H3,(H2,14,16)
InChIKeyXSCLBTMUOINRGM-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 142915595) is 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CC1C=C(Sc2nnc(N)s2)c2ccc(Cl)cc2N1.
What is the InChIKey of 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XSCLBTMUOINRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S2/c1-6-4-10(18-12-17-16-11(14)19-12)8-3-2-7(13)5-9(8)15-6/h2-6,15H,1H3,(H2,14,16).
What are the key properties of 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 310.84 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-2-methyl-1,2-dihydroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 142915595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).