N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine

C16H17N3S — CID 63753119

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
SMILESCc1nc(C)c(C(C)Nc2ccc3ncccc3c2)s1
InChIInChI=1S/C16H17N3S/c1-10-16(20-12(3)18-10)11(2)19-14-6-7-15-13(9-14)5-4-8-17-15/h4-9,11,19H,1-3H3
InChIKeyYXHHGMRQQGSANB-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.48
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine (PubChem CID 63753119) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
PubChem CID63753119
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
SMILESCc1nc(C)c(C(C)Nc2ccc3ncccc3c2)s1
InChIInChI=1S/C16H17N3S/c1-10-16(20-12(3)18-10)11(2)19-14-6-7-15-13(9-14)5-4-8-17-15/h4-9,11,19H,1-3H3
InChIKeyYXHHGMRQQGSANB-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
N-[1-(1,3-thiazol-4-yl)ethyl]quinolin-6-amine
CID 115928696
N-[1-(2,5-dimethylphenyl)ethyl]quinolin-6-amine
CID 62636644
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
N-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63751921
N-[1-(2,5-difluorophenyl)ethyl]quinolin-6-amine
CID 62634757
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
CID 63753114
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
CID 62636651

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine (CID 63753119) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine is Cc1nc(C)c(C(C)Nc2ccc3ncccc3c2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine?
The InChIKey is YXHHGMRQQGSANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-16(20-12(3)18-10)11(2)19-14-6-7-15-13(9-14)5-4-8-17-15/h4-9,11,19H,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine has a molecular weight of 283.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine is sourced from PubChem (CID 63753119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).