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

C17H19N3S — CID 63095112

IUPACN-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H19N3S/c1-3-8-18-12(2)16-11-20-17(21-16)14-6-7-15-13(10-14)5-4-9-19-15/h4-7,9-12,18H,3,8H2,1-2H3
InChIKeyATQMCIQRTJTMCU-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.42
Rot. Bonds5

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

N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 63095112) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID63095112
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H19N3S/c1-3-8-18-12(2)16-11-20-17(21-16)14-6-7-15-13(10-14)5-4-9-19-15/h4-7,9-12,18H,3,8H2,1-2H3
InChIKeyATQMCIQRTJTMCU-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651370
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63096520
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106849418
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62635651
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 63095112) is N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2ccc3ncccc3c2)s1.
What is the InChIKey of N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ATQMCIQRTJTMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-8-18-12(2)16-11-20-17(21-16)14-6-7-15-13(10-14)5-4-9-19-15/h4-7,9-12,18H,3,8H2,1-2H3.
What are the key properties of N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63095112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).