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

C11H18N4S — CID 64982576

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H18N4S/c1-8-13-14-11(16-8)12-6-9-4-5-15(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,12,14)
InChIKeyHGNDWQZVQNCZDK-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.74
Rot. Bonds4

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

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982576) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982576
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H18N4S/c1-8-13-14-11(16-8)12-6-9-4-5-15(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,12,14)
InChIKeyHGNDWQZVQNCZDK-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.74
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-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 164633838
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)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586974
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-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133493427
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133493472

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982576) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCN(C3CC3)C2)s1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HGNDWQZVQNCZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-13-14-11(16-8)12-6-9-4-5-15(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 238.36 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 N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).