4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine

C13H14N2S — CID 735091

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C13H14N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,14,15)
InChIKeyXCDNQJNJCJJQEC-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.27
Rot. Bonds1

About 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine

4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine (PubChem CID 735091) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
PubChem CID735091
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C13H14N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,14,15)
InChIKeyXCDNQJNJCJJQEC-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine (CID 735091) is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XCDNQJNJCJJQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H2,14,15).
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 735091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).