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

C14H18N2S — CID 63296431

IUPAC5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(CNC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C14H18N2S/c1-10-3-2-4-11(7-10)8-15-14-16-9-13(17-14)12-5-6-12/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPVBWDZSONUOGGK-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.97
Rot. Bonds3

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

5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296431) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296431
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(CNC2=NCC(C3CC3)S2)c1
InChIInChI=1S/C14H18N2S/c1-10-3-2-4-11(7-10)8-15-14-16-9-13(17-14)12-5-6-12/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,15,16)
InChIKeyPVBWDZSONUOGGK-UHFFFAOYSA-N
XLogP2.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296653
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296287
5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106014087
N-tert-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296741
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
5-cyclopropyl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296192
N-[(3-bromophenyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61410146
5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296377
2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 63296562
2-(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)-1,1-dimethylhydrazine
CID 83019299
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296431) is 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(CNC2=NCC(C3CC3)S2)c1.
What is the InChIKey of 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PVBWDZSONUOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-3-2-4-11(7-10)8-15-14-16-9-13(17-14)12-5-6-12/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 2.97, 3 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)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).