N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine

C14H14F2N2S — CID 61496393

IUPACN-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(Cc2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C14H14F2N2S/c15-10-3-9(4-11(16)6-10)5-14-18-13(8-19-14)7-17-12-1-2-12/h3-4,6,8,12,17H,1-2,5,7H2
InChIKeySUDATCRVVYBZBS-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.26
Rot. Bonds5

About N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61496393) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61496393
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC NameN-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(F)cc(Cc2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C14H14F2N2S/c15-10-3-9(4-11(16)6-10)5-14-18-13(8-19-14)7-17-12-1-2-12/h3-4,6,8,12,17H,1-2,5,7H2
InChIKeySUDATCRVVYBZBS-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55096147
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66423090
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61496393) is N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is Fc1cc(F)cc(Cc2nc(CNC3CC3)cs2)c1.
What is the InChIKey of N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SUDATCRVVYBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c15-10-3-9(4-11(16)6-10)5-14-18-13(8-19-14)7-17-12-1-2-12/h3-4,6,8,12,17H,1-2,5,7H2.
What are the key properties of N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 280.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).