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

C13H24N4S — CID 131890377

IUPACN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC(C)(C)N2CCCC2)s1
InChIInChI=1S/C13H24N4S/c1-10(2)11-15-16-12(18-11)14-9-13(3,4)17-7-5-6-8-17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyLCJYNRKYGSULIB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.95
Rot. Bonds5

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

N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 131890377) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID131890377
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC(C)(C)N2CCCC2)s1
InChIInChI=1S/C13H24N4S/c1-10(2)11-15-16-12(18-11)14-9-13(3,4)17-7-5-6-8-17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyLCJYNRKYGSULIB-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 97119104
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-ethyl-1,3,4-thiadiazol-2-amine
CID 122561297
N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133493427
5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 154863533
5-[(1S)-1-amino-2-methylpropyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 46930666
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982576
1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 64982583
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 64983020
N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
CID 65208041
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
CID 65208042
N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 65208055
2-methyl-N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 65208056

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 131890377) is N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCC(C)(C)N2CCCC2)s1.
What is the InChIKey of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LCJYNRKYGSULIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(2)11-15-16-12(18-11)14-9-13(3,4)17-7-5-6-8-17/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131890377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).