4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

C13H16N2S — CID 63261342

IUPAC4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CC2CSC(NC3CC3)=N2)cc1
InChIInChI=1S/C13H16N2S/c1-2-4-10(5-3-1)8-12-9-16-13(15-12)14-11-6-7-11/h1-5,11-12H,6-9H2,(H,14,15)
InChIKeyCXKWWLNEMYNWPG-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.45
Rot. Bonds3

About 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261342) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261342
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CC2CSC(NC3CC3)=N2)cc1
InChIInChI=1S/C13H16N2S/c1-2-4-10(5-3-1)8-12-9-16-13(15-12)14-11-6-7-11/h1-5,11-12H,6-9H2,(H,14,15)
InChIKeyCXKWWLNEMYNWPG-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261659
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183229
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
N-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853215
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63261747
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63261342) is 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(CC2CSC(NC3CC3)=N2)cc1.
What is the InChIKey of 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CXKWWLNEMYNWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-4-10(5-3-1)8-12-9-16-13(15-12)14-11-6-7-11/h1-5,11-12H,6-9H2,(H,14,15).
What are the key properties of 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).