[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine

C14H16N2S — CID 63250998

IUPAC[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CCCc3ccccc32)n1
InChIInChI=1S/C14H16N2S/c15-8-11-9-17-14(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7-8,15H2
InChIKeyQOFUBWXHPDZZFB-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.07
Rot. Bonds2

About [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine

[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 63250998) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID63250998
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C2CCCc3ccccc32)n1
InChIInChI=1S/C14H16N2S/c15-8-11-9-17-14(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7-8,15H2
InChIKeyQOFUBWXHPDZZFB-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 65404612
[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114362069
[4-(methoxymethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114361633
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63250583
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine (CID 63250998) is [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine is NCc1csc(C2CCCc3ccccc32)n1.
What is the InChIKey of [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is QOFUBWXHPDZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-8-11-9-17-14(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7-8,15H2.
What are the key properties of [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine?
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 63250998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).