6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile

C16H13ClN4S — CID 133337280

IUPAC6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
SMILESCc1cnc(C(C)Nc2cc(C#N)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C16H13ClN4S/c1-9-8-19-16(22-9)10(2)20-15-5-11(7-18)13-6-12(17)3-4-14(13)21-15/h3-6,8,10H,1-2H3,(H,20,21)
InChIKeySWVHLXXUFHBZNI-UHFFFAOYSA-N
MW328.83 g/mol
LogP4.70
Rot. Bonds3

About 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile

6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile (PubChem CID 133337280) has the molecular formula C16H13ClN4S and a molecular weight of 328.83 g/mol. Its IUPAC name is 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
PubChem CID133337280
Molecular FormulaC16H13ClN4S
Molecular Weight328.83 g/mol
Exact Mass328.05
IUPAC Name6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
SMILESCc1cnc(C(C)Nc2cc(C#N)c3cc(Cl)ccc3n2)s1
InChIInChI=1S/C16H13ClN4S/c1-9-8-19-16(22-9)10(2)20-15-5-11(7-18)13-6-12(17)3-4-14(13)21-15/h3-6,8,10H,1-2H3,(H,20,21)
InChIKeySWVHLXXUFHBZNI-UHFFFAOYSA-N
XLogP4.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile (CID 133337280) is 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile is Cc1cnc(C(C)Nc2cc(C#N)c3cc(Cl)ccc3n2)s1.
What is the InChIKey of 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile?
The InChIKey is SWVHLXXUFHBZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4S/c1-9-8-19-16(22-9)10(2)20-15-5-11(7-18)13-6-12(17)3-4-14(13)21-15/h3-6,8,10H,1-2H3,(H,20,21).
What are the key properties of 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile?
6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile has a molecular weight of 328.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 133337280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).