N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine

C16H17N3S — CID 133413137

IUPACN,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1N(C)CCc1nccs1
InChIInChI=1S/C16H17N3S/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(2)9-7-15-17-8-10-20-15/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyDGLGCNCVXFLYPA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.68
Rot. Bonds4

About N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine

N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine (PubChem CID 133413137) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
PubChem CID133413137
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1N(C)CCc1nccs1
InChIInChI=1S/C16H17N3S/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(2)9-7-15-17-8-10-20-15/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyDGLGCNCVXFLYPA-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The IUPAC name of N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine (CID 133413137) is N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The canonical SMILES for N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine is Cc1cc2ccccc2nc1N(C)CCc1nccs1.
What is the InChIKey of N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The InChIKey is DGLGCNCVXFLYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-11-13-5-3-4-6-14(13)18-16(12)19(2)9-7-15-17-8-10-20-15/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine is sourced from PubChem (CID 133413137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).