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

C10H18N4S — CID 64983020

IUPAC5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)CN2CCCC2)s1
InChIInChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-13-12-9(2)15-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyZDGWDCMNDCIBGG-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.74
Rot. Bonds4

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

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64983020) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64983020
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)CN2CCCC2)s1
InChIInChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-13-12-9(2)15-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyZDGWDCMNDCIBGG-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide
CID 3157320
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607000
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607323
N-propyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607634
N-ethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607735
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 64983020) is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)CN2CCCC2)s1.
What is the InChIKey of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZDGWDCMNDCIBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(7-14-5-3-4-6-14)11-10-13-12-9(2)15-10/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64983020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).