5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C8H14N4S — CID 65208493

IUPAC5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCN2)s1
InChIInChI=1S/C8H14N4S/c1-6-11-12-8(13-6)10-5-7-3-2-4-9-7/h7,9H,2-5H2,1H3,(H,10,12)
InChIKeyNVMFAUOKJVOOKN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65208493) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID65208493
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCN2)s1
InChIInChI=1S/C8H14N4S/c1-6-11-12-8(13-6)10-5-7-3-2-4-9-7/h7,9H,2-5H2,1H3,(H,10,12)
InChIKeyNVMFAUOKJVOOKN-UHFFFAOYSA-N
XLogP1.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 65208493) is 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCCN2)s1.
What is the InChIKey of 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NVMFAUOKJVOOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-11-12-8(13-6)10-5-7-3-2-4-9-7/h7,9H,2-5H2,1H3,(H,10,12).
What are the key properties of 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyrrolidin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).