2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine

C16H14N2S — CID 62077357

IUPAC2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2S/c17-15-14(18-16(19-15)11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9,17H2
InChIKeyRTOIBLVCORCVAN-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.42
Rot. Bonds2

About 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine

2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine (PubChem CID 62077357) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine
PubChem CID62077357
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H14N2S/c17-15-14(18-16(19-15)11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9,17H2
InChIKeyRTOIBLVCORCVAN-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine (CID 62077357) is 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine is Nc1sc(C2CC2)nc1-c1cccc2ccccc12.
What is the InChIKey of 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine?
The InChIKey is RTOIBLVCORCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-15-14(18-16(19-15)11-8-9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9,17H2.
What are the key properties of 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine?
2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine has a molecular weight of 266.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-naphthalen-1-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).