1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine

C17H17N3S — CID 114367052

IUPAC1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C17H17N3S/c1-18-10-15-16(11-4-5-11)20-17(21-15)13-6-7-14-12(9-13)3-2-8-19-14/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyYSVWTVXMZQBBLM-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 114367052) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID114367052
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C17H17N3S/c1-18-10-15-16(11-4-5-11)20-17(21-15)13-6-7-14-12(9-13)3-2-8-19-14/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyYSVWTVXMZQBBLM-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
N-methyl-1-(5-quinolin-6-ylthiophen-2-yl)methanamine
CID 62635117
1-[4-cyclopropyl-2-(3,5-dimethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366921
1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367037
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891
1-[4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366957
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083903
1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932051
4-[4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889330
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 114367052) is 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine is CNCc1sc(-c2ccc3ncccc3c2)nc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is YSVWTVXMZQBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-18-10-15-16(11-4-5-11)20-17(21-15)13-6-7-14-12(9-13)3-2-8-19-14/h2-3,6-9,11,18H,4-5,10H2,1H3.
What are the key properties of 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114367052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).