8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine

C12H9ClN4S — CID 146469810

IUPAC8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine
SMILESCc1cnsc1-c1cc(Cl)c2nnc(N)cc2c1
InChIInChI=1S/C12H9ClN4S/c1-6-5-15-18-12(6)8-2-7-4-10(14)16-17-11(7)9(13)3-8/h2-5H,1H3,(H2,14,16)
InChIKeyQQQKNJSKFPANMB-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.30
Rot. Bonds1

About 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine

8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine (PubChem CID 146469810) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine.

Molecular Properties

Compound Name8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine
PubChem CID146469810
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine
SMILESCc1cnsc1-c1cc(Cl)c2nnc(N)cc2c1
InChIInChI=1S/C12H9ClN4S/c1-6-5-15-18-12(6)8-2-7-4-10(14)16-17-11(7)9(13)3-8/h2-5H,1H3,(H2,14,16)
InChIKeyQQQKNJSKFPANMB-UHFFFAOYSA-N
XLogP3.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine?
The IUPAC name of 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine (CID 146469810) is 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine.
What is the SMILES notation for 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine?
The canonical SMILES for 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine is Cc1cnsc1-c1cc(Cl)c2nnc(N)cc2c1.
What is the InChIKey of 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine?
The InChIKey is QQQKNJSKFPANMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c1-6-5-15-18-12(6)8-2-7-4-10(14)16-17-11(7)9(13)3-8/h2-5H,1H3,(H2,14,16).
What are the key properties of 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine?
8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine has a molecular weight of 276.75 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine is sourced from PubChem (CID 146469810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).