(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine

C18H21N3S — CID 97322347

IUPAC(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
SMILESCCc1nc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cs1
InChIInChI=1S/C18H21N3S/c1-4-18-21-17(11-22-18)13(3)19-12(2)15-10-9-14-7-5-6-8-16(14)20-15/h5-13,19H,4H2,1-3H3/t12-,13-/m0/s1
InChIKeyKCGSWKWDJQYKFK-STQMWFEESA-N
MW311.45 g/mol
LogP4.67
Rot. Bonds5

About (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine

(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine (PubChem CID 97322347) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
PubChem CID97322347
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
SMILESCCc1nc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cs1
InChIInChI=1S/C18H21N3S/c1-4-18-21-17(11-22-18)13(3)19-12(2)15-10-9-14-7-5-6-8-16(14)20-15/h5-13,19H,4H2,1-3H3/t12-,13-/m0/s1
InChIKeyKCGSWKWDJQYKFK-STQMWFEESA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322349
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
2-methyl-N-(2-quinolin-2-ylpropyl)propan-2-amine
CID 170592923
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115621932
4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
CID 97322144
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
2-ethyl-4-(1-iodoethyl)-1,3-thiazole
CID 137495501
ethane;2-propan-2-ylquinoline
CID 142538504
methane;2-propan-2-ylquinoline
CID 161334581

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine?
The IUPAC name of (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine (CID 97322347) is (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine is CCc1nc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cs1.
What is the InChIKey of (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine?
The InChIKey is KCGSWKWDJQYKFK-STQMWFEESA-N. The full InChI is InChI=1S/C18H21N3S/c1-4-18-21-17(11-22-18)13(3)19-12(2)15-10-9-14-7-5-6-8-16(14)20-15/h5-13,19H,4H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine?
(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine has a molecular weight of 311.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine is sourced from PubChem (CID 97322347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).