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

C15H19N3OS — CID 79763740

IUPACN-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C2CCOC2C)s1
InChIInChI=1S/C15H19N3OS/c1-10-12(8-9-19-10)14-17-18-15(20-14)13(16-2)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyZPMSHNIEXAPWAH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.74
Rot. Bonds4

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

N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine (PubChem CID 79763740) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine
PubChem CID79763740
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1nnc(C2CCOC2C)s1
InChIInChI=1S/C15H19N3OS/c1-10-12(8-9-19-10)14-17-18-15(20-14)13(16-2)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyZPMSHNIEXAPWAH-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine?
The IUPAC name of N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine (CID 79763740) is N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine is CNC(c1ccccc1)c1nnc(C2CCOC2C)s1.
What is the InChIKey of N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine?
The InChIKey is ZPMSHNIEXAPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-12(8-9-19-10)14-17-18-15(20-14)13(16-2)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine?
N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine is sourced from PubChem (CID 79763740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).