N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C13H12F2N2S — CID 61281058

IUPACN-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESFc1cccc(F)c1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C13H12F2N2S/c14-10-2-1-3-11(15)12(10)13-17-9(7-18-13)6-16-8-4-5-8/h1-3,7-8,16H,4-6H2
InChIKeyDBBSMUNAKGAVNS-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.34
Rot. Bonds4

About N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61281058) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61281058
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESFc1cccc(F)c1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C13H12F2N2S/c14-10-2-1-3-11(15)12(10)13-17-9(7-18-13)6-16-8-4-5-8/h1-3,7-8,16H,4-6H2
InChIKeyDBBSMUNAKGAVNS-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61282037
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66423090
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61281058) is N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is Fc1cccc(F)c1-c1nc(CNC2CC2)cs1.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DBBSMUNAKGAVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-10-2-1-3-11(15)12(10)13-17-9(7-18-13)6-16-8-4-5-8/h1-3,7-8,16H,4-6H2.
What are the key properties of N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 266.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61281058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).