N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine

C16H17N3S — CID 105171422

IUPACN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccnc2ccccc12
InChIInChI=1S/C16H17N3S/c1-11-10-20-16(19-11)9-15(17-2)13-7-8-18-14-6-4-3-5-12(13)14/h3-8,10,15,17H,9H2,1-2H3
InChIKeyWOASVEWNUFRMEH-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine (PubChem CID 105171422) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
PubChem CID105171422
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccnc2ccccc12
InChIInChI=1S/C16H17N3S/c1-11-10-20-16(19-11)9-15(17-2)13-7-8-18-14-6-4-3-5-12(13)14/h3-8,10,15,17H,9H2,1-2H3
InChIKeyWOASVEWNUFRMEH-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357336
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
CID 81232102
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
CID 105151840
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169168
N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
CID 105150165
N-methyl-2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethanamine
CID 107065105

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine (CID 105171422) is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine is CNC(Cc1nc(C)cs1)c1ccnc2ccccc12.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine?
The InChIKey is WOASVEWNUFRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-10-20-16(19-11)9-15(17-2)13-7-8-18-14-6-4-3-5-12(13)14/h3-8,10,15,17H,9H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105171422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).