2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine

C14H30N6S — CID 177337833

IUPAC2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine
SMILESCCCCC(CC)N1CCC(Nc2nnc(N)s2)C1.CN
InChIInChI=1S/C13H25N5S.CH5N/c1-3-5-6-11(4-2)18-8-7-10(9-18)15-13-17-16-12(14)19-13;1-2/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17);2H2,1H3
InChIKeyFNZYIFOOGCMUML-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.15
Rot. Bonds7

About 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine

2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine (PubChem CID 177337833) has the molecular formula C14H30N6S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine.

Molecular Properties

Compound Name2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine
PubChem CID177337833
Molecular FormulaC14H30N6S
Molecular Weight314.50 g/mol
Exact Mass314.23
IUPAC Name2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine
SMILESCCCCC(CC)N1CCC(Nc2nnc(N)s2)C1.CN
InChIInChI=1S/C13H25N5S.CH5N/c1-3-5-6-11(4-2)18-8-7-10(9-18)15-13-17-16-12(14)19-13;1-2/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17);2H2,1H3
InChIKeyFNZYIFOOGCMUML-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine?
The IUPAC name of 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine (CID 177337833) is 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine.
What is the SMILES notation for 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine?
The canonical SMILES for 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine is CCCCC(CC)N1CCC(Nc2nnc(N)s2)C1.CN.
What is the InChIKey of 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine?
The InChIKey is FNZYIFOOGCMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S.CH5N/c1-3-5-6-11(4-2)18-8-7-10(9-18)15-13-17-16-12(14)19-13;1-2/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17);2H2,1H3.
What are the key properties of 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine?
2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine has a molecular weight of 314.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine is sourced from PubChem (CID 177337833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).