N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C14H16N2S — CID 60688050

IUPACN-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1cc2c(c(NCc3cscn3)c1)CCCC2
InChIInChI=1S/C14H16N2S/c1-2-6-13-11(4-1)5-3-7-14(13)15-8-12-9-17-10-16-12/h3,5,7,9-10,15H,1-2,4,6,8H2
InChIKeyFFJPMLUFIIIARJ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.63
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 60688050) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID60688050
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1cc2c(c(NCc3cscn3)c1)CCCC2
InChIInChI=1S/C14H16N2S/c1-2-6-13-11(4-1)5-3-7-14(13)15-8-12-9-17-10-16-12/h3,5,7,9-10,15H,1-2,4,6,8H2
InChIKeyFFJPMLUFIIIARJ-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79478733
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826
N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
CID 60690748
3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
CID 130778586
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169847

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 60688050) is N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is c1cc2c(c(NCc3cscn3)c1)CCCC2.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FFJPMLUFIIIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-6-13-11(4-1)5-3-7-14(13)15-8-12-9-17-10-16-12/h3,5,7,9-10,15H,1-2,4,6,8H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 60688050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).