5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H16N2OS — CID 63296331

IUPAC5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccccc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H16N2OS/c1-16-11-5-3-2-4-10(11)15-13-14-8-12(17-13)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,14,15)
InChIKeyJCMIETCOKYKULP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.99
Rot. Bonds3

About 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296331) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296331
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccccc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H16N2OS/c1-16-11-5-3-2-4-10(11)15-13-14-8-12(17-13)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,14,15)
InChIKeyJCMIETCOKYKULP-UHFFFAOYSA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296331) is 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is COc1ccccc1NC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JCMIETCOKYKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-11-5-3-2-4-10(11)15-13-14-8-12(17-13)9-6-7-9/h2-5,9,12H,6-8H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).