5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C12H23N5S — CID 105416959

IUPAC5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)CC2(N(C)C)CCC2)s1
InChIInChI=1S/C12H23N5S/c1-13-11-15-14-10(18-11)8-17(4)9-12(16(2)3)6-5-7-12/h5-9H2,1-4H3,(H,13,15)
InChIKeyFWNRIGLVEGGACE-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.50
Rot. Bonds6

About 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 105416959) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID105416959
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)CC2(N(C)C)CCC2)s1
InChIInChI=1S/C12H23N5S/c1-13-11-15-14-10(18-11)8-17(4)9-12(16(2)3)6-5-7-12/h5-9H2,1-4H3,(H,13,15)
InChIKeyFWNRIGLVEGGACE-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 105416959) is 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(C)CC2(N(C)C)CCC2)s1.
What is the InChIKey of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FWNRIGLVEGGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-13-11-15-14-10(18-11)8-17(4)9-12(16(2)3)6-5-7-12/h5-9H2,1-4H3,(H,13,15).
What are the key properties of 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 269.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 105416959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).