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

C12H22N4S — CID 65208056

IUPAC2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCc1nnc(N2CCCC2CNCC(C)C)s1
InChIInChI=1S/C12H22N4S/c1-9(2)7-13-8-11-5-4-6-16(11)12-15-14-10(3)17-12/h9,11,13H,4-8H2,1-3H3
InChIKeyKHYWSHHROVRQEG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.06
Rot. Bonds5

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

2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 65208056) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID65208056
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCc1nnc(N2CCCC2CNCC(C)C)s1
InChIInChI=1S/C12H22N4S/c1-9(2)7-13-8-11-5-4-6-16(11)12-15-14-10(3)17-12/h9,11,13H,4-8H2,1-3H3
InChIKeyKHYWSHHROVRQEG-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 65208056) is 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine is Cc1nnc(N2CCCC2CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is KHYWSHHROVRQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)7-13-8-11-5-4-6-16(11)12-15-14-10(3)17-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).