N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C15H21N3OS — CID 106260977

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ccc(C3CC3C)o2)s1
InChIInChI=1S/C15H21N3OS/c1-9(2)6-14-17-18-15(20-14)16-8-11-4-5-13(19-11)12-7-10(12)3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,18)
InChIKeyFFYFJLSUOPSJFZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.07
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260977) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260977
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ccc(C3CC3C)o2)s1
InChIInChI=1S/C15H21N3OS/c1-9(2)6-14-17-18-15(20-14)16-8-11-4-5-13(19-11)12-7-10(12)3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,18)
InChIKeyFFYFJLSUOPSJFZ-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260977) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NCc2ccc(C3CC3C)o2)s1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FFYFJLSUOPSJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9(2)6-14-17-18-15(20-14)16-8-11-4-5-13(19-11)12-7-10(12)3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,18).
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).