2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine

C12H9ClN4S — CID 102769112

IUPAC2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C12H9ClN4S/c13-8-3-4-9(11-7(8)2-1-5-15-11)17-12-16-6-10(14)18-12/h1-6H,14H2,(H,16,17)
InChIKeyDSYDWYSKKPRBSA-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.67
Rot. Bonds2

About 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine

2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine (PubChem CID 102769112) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
PubChem CID102769112
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C12H9ClN4S/c13-8-3-4-9(11-7(8)2-1-5-15-11)17-12-16-6-10(14)18-12/h1-6H,14H2,(H,16,17)
InChIKeyDSYDWYSKKPRBSA-UHFFFAOYSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine (CID 102769112) is 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine is Nc1cnc(Nc2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is DSYDWYSKKPRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-8-3-4-9(11-7(8)2-1-5-15-11)17-12-16-6-10(14)18-12/h1-6H,14H2,(H,16,17).
What are the key properties of 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine?
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 276.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).