4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine

C14H14N2S — CID 112562111

IUPAC4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2C3CCc4ccccc4C32)cs1
InChIInChI=1S/C14H14N2S/c15-14-16-11(7-17-14)13-10-6-5-8-3-1-2-4-9(8)12(10)13/h1-4,7,10,12-13H,5-6H2,(H2,15,16)
InChIKeyBJIFCZUJOXPMNV-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.17
Rot. Bonds1

About 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine

4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine (PubChem CID 112562111) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
PubChem CID112562111
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2C3CCc4ccccc4C32)cs1
InChIInChI=1S/C14H14N2S/c15-14-16-11(7-17-14)13-10-6-5-8-3-1-2-4-9(8)12(10)13/h1-4,7,10,12-13H,5-6H2,(H2,15,16)
InChIKeyBJIFCZUJOXPMNV-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine (CID 112562111) is 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine is Nc1nc(C2C3CCc4ccccc4C32)cs1.
What is the InChIKey of 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine?
The InChIKey is BJIFCZUJOXPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-14-16-11(7-17-14)13-10-6-5-8-3-1-2-4-9(8)12(10)13/h1-4,7,10,12-13H,5-6H2,(H2,15,16).
What are the key properties of 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine?
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine has a molecular weight of 242.35 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112562111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).