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

C13H14F2N2OS — CID 55170640

IUPAC5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(NC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C13H14F2N2OS/c14-12(15)18-10-5-3-9(4-6-10)17-13-16-7-11(19-13)8-1-2-8/h3-6,8,11-12H,1-2,7H2,(H,16,17)
InChIKeyMDKWFNDJCMZTJO-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.58
Rot. Bonds4

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

5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 55170640) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID55170640
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(NC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C13H14F2N2OS/c14-12(15)18-10-5-3-9(4-6-10)17-13-16-7-11(19-13)8-1-2-8/h3-6,8,11-12H,1-2,7H2,(H,16,17)
InChIKeyMDKWFNDJCMZTJO-UHFFFAOYSA-N
XLogP3.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153931
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296598
N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637524
4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
CID 79828523
N-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-amine
CID 106561142
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124860
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
CID 61373209
6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282177
4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758057

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 55170640) is 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)Oc1ccc(NC2=NCC(C3CC3)S2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MDKWFNDJCMZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c14-12(15)18-10-5-3-9(4-6-10)17-13-16-7-11(19-13)8-1-2-8/h3-6,8,11-12H,1-2,7H2,(H,16,17).
What are the key properties of 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 55170640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).