5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

C13H22N4S — CID 97119104

IUPAC5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN1CC[C@H](CNc2nnc(C3CC3)s2)C1
InChIInChI=1S/C13H22N4S/c1-2-6-17-7-5-10(9-17)8-14-13-16-15-12(18-13)11-3-4-11/h10-11H,2-9H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyWSFMTMQBULSOIG-SNVBAGLBSA-N
MW266.41 g/mol
LogP2.56
Rot. Bonds6

About 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 97119104) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID97119104
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN1CC[C@H](CNc2nnc(C3CC3)s2)C1
InChIInChI=1S/C13H22N4S/c1-2-6-17-7-5-10(9-17)8-14-13-16-15-12(18-13)11-3-4-11/h10-11H,2-9H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyWSFMTMQBULSOIG-SNVBAGLBSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 65209098
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448250
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448424
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449640
N-[(1-methylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449641
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449688
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133493472
5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 154863533
5-cyclopropyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 65641817
5-butan-2-yl-N-propyl-1,3,4-thiadiazol-2-amine
CID 154244558

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 97119104) is 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is CCCN1CC[C@H](CNc2nnc(C3CC3)s2)C1.
What is the InChIKey of 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WSFMTMQBULSOIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-6-17-7-5-10(9-17)8-14-13-16-15-12(18-13)11-3-4-11/h10-11H,2-9H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 97119104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).