1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine

C15H19N3S — CID 83150302

IUPAC1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C(C)C2CC2)s1
InChIInChI=1S/C15H19N3S/c1-10(11-8-9-11)14-17-18-15(19-14)13(16-2)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3
InChIKeyCGNBZRGYSOATSB-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine

1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine (PubChem CID 83150302) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
PubChem CID83150302
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C(C)C2CC2)s1
InChIInChI=1S/C15H19N3S/c1-10(11-8-9-11)14-17-18-15(19-14)13(16-2)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3
InChIKeyCGNBZRGYSOATSB-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine (CID 83150302) is 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(C(C)C2CC2)s1.
What is the InChIKey of 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine?
The InChIKey is CGNBZRGYSOATSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(11-8-9-11)14-17-18-15(19-14)13(16-2)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3.
What are the key properties of 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine?
1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 83150302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).