N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

C11H19N3OS — CID 80623626

IUPACN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(OCC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-8(2)5-12-6-10-13-14-11(16-10)15-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyHJFDMDDGMOPWSR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.07
Rot. Bonds7

About N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80623626) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80623626
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(OCC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-8(2)5-12-6-10-13-14-11(16-10)15-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyHJFDMDDGMOPWSR-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 80623626) is N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnc(OCC2CC2)s1.
What is the InChIKey of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HJFDMDDGMOPWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)5-12-6-10-13-14-11(16-10)15-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80623626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).