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

C11H21N5S — CID 80606718

IUPAC5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC2CN(C)C)s1
InChIInChI=1S/C11H21N5S/c1-12-11-14-13-10(17-11)8-16-6-4-5-9(16)7-15(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyQSSSNEDPKLVKSQ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.11
Rot. Bonds5

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

5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606718) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80606718
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC2CN(C)C)s1
InChIInChI=1S/C11H21N5S/c1-12-11-14-13-10(17-11)8-16-6-4-5-9(16)7-15(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyQSSSNEDPKLVKSQ-UHFFFAOYSA-N
XLogP1.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 83061444
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
N-ethyl-5-[(2-ethylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104691834
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608247
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 80614598
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607629
5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608063
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608509
N-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607132

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80606718) is 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCCC2CN(C)C)s1.
What is the InChIKey of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QSSSNEDPKLVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-12-11-14-13-10(17-11)8-16-6-4-5-9(16)7-15(2)3/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).