N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H18N2S — CID 112641299

IUPACN-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cncs1
InChIInChI=1S/C15H18N2S/c1-16-15-12(8-13-9-17-10-18-13)7-6-11-4-2-3-5-14(11)15/h2-5,9-10,12,15-16H,6-8H2,1H3
InChIKeyYUJYSQXDTJYYLK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 112641299) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID112641299
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cncs1
InChIInChI=1S/C15H18N2S/c1-16-15-12(8-13-9-17-10-18-13)7-6-11-4-2-3-5-14(11)15/h2-5,9-10,12,15-16H,6-8H2,1H3
InChIKeyYUJYSQXDTJYYLK-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
6-[(4-bromothiophen-2-yl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403773
2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 112641294
N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107044649
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030390
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399921
N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 112641299) is N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Cc1cncs1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YUJYSQXDTJYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-16-15-12(8-13-9-17-10-18-13)7-6-11-4-2-3-5-14(11)15/h2-5,9-10,12,15-16H,6-8H2,1H3.
What are the key properties of N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 112641299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).