N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C13H14FN3S — CID 81479222

IUPACN-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(-c2nnc(CNC3CC3)s2)c1F
InChIInChI=1S/C13H14FN3S/c1-8-3-2-4-10(12(8)14)13-17-16-11(18-13)7-15-9-5-6-9/h2-4,9,15H,5-7H2,1H3
InChIKeyYNNHPILFCIWEEV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.90
Rot. Bonds4

About N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 81479222) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID81479222
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC NameN-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(-c2nnc(CNC3CC3)s2)c1F
InChIInChI=1S/C13H14FN3S/c1-8-3-2-4-10(12(8)14)13-17-16-11(18-13)7-15-9-5-6-9/h2-4,9,15H,5-7H2,1H3
InChIKeyYNNHPILFCIWEEV-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 79756560
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 106690501
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 79146631
N-[3-[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 79819466
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 107942008
N-[3-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 81480568
2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 81478873
N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 114823813
N-[[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82878882
N-[[5-(3-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 81263084
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 79818648

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 81479222) is N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is Cc1cccc(-c2nnc(CNC3CC3)s2)c1F.
What is the InChIKey of N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is YNNHPILFCIWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-8-3-2-4-10(12(8)14)13-17-16-11(18-13)7-15-9-5-6-9/h2-4,9,15H,5-7H2,1H3.
What are the key properties of N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 263.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).