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

C16H18N4S — CID 82540131

IUPACN-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3ccccc3n2)c(C(C)NC)s1
InChIInChI=1S/C16H18N4S/c1-10(17-2)15-14(20-16(18-3)21-15)13-9-8-11-6-4-5-7-12(11)19-13/h4-10,17H,1-3H3,(H,18,20)
InChIKeyGQOCULBMAGDWKB-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.68
Rot. Bonds4

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

N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine (PubChem CID 82540131) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
PubChem CID82540131
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3ccccc3n2)c(C(C)NC)s1
InChIInChI=1S/C16H18N4S/c1-10(17-2)15-14(20-16(18-3)21-15)13-9-8-11-6-4-5-7-12(11)19-13/h4-10,17H,1-3H3,(H,18,20)
InChIKeyGQOCULBMAGDWKB-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
(E)-3-[2-(methylamino)-4-quinolin-2-yl-1,3-thiazol-5-yl]but-2-enoic acid
CID 110447093
4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540359
N-methyl-1-(2-methyl-4-pyridin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82540658
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
CID 116645117
N-methyl-6-quinolin-2-ylpyridin-2-amine
CID 116645331
5-(1-aminoethyl)-N-methyl-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82542153
N-methyl-1-[2-methyl-4-(2-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540549
N-methyl-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 63222525
N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938566
N-methyl-6-quinolin-2-ylpyrimidin-4-amine
CID 116645319
5-(1-aminoethyl)-4-(2-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82542023

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine (CID 82540131) is N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine is CNc1nc(-c2ccc3ccccc3n2)c(C(C)NC)s1.
What is the InChIKey of N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine?
The InChIKey is GQOCULBMAGDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10(17-2)15-14(20-16(18-3)21-15)13-9-8-11-6-4-5-7-12(11)19-13/h4-10,17H,1-3H3,(H,18,20).
What are the key properties of N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine?
N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82540131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).