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

C13H16N2S — CID 63296653

IUPAC5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(NC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C13H16N2S/c1-9-3-2-4-11(7-9)15-13-14-8-12(16-13)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,14,15)
InChIKeyBCXBQKONYPVBLZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.29
Rot. Bonds2

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

5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296653) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296653
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(NC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C13H16N2S/c1-9-3-2-4-11(7-9)15-13-14-8-12(16-13)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,14,15)
InChIKeyBCXBQKONYPVBLZ-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296431
N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296241
N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637524
5-cyclopropyl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296192
5-methyl-N-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 126982467
5-cyclopropyl-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296342
2-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-1,1-dimethylhydrazine
CID 83019299
3-bromo-4-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107791789
N-tert-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296741
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183120
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296653) is 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(NC2=NCC(C3CC3)S2)c1.
What is the InChIKey of 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BCXBQKONYPVBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-3-2-4-11(7-9)15-13-14-8-12(16-13)10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).