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

C12H22N4OS — CID 131930333

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCN1CCC(CN(C)c2nnc(C)s2)C1
InChIInChI=1S/C12H22N4OS/c1-10-13-14-12(18-10)15(2)8-11-4-5-16(9-11)6-7-17-3/h11H,4-9H2,1-3H3
InChIKeyYLJZEHXAEMGFDT-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.25
Rot. Bonds6

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

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 131930333) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID131930333
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCN1CCC(CN(C)c2nnc(C)s2)C1
InChIInChI=1S/C12H22N4OS/c1-10-13-14-12(18-10)15(2)8-11-4-5-16(9-11)6-7-17-3/h11H,4-9H2,1-3H3
InChIKeyYLJZEHXAEMGFDT-UHFFFAOYSA-N
XLogP1.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624936
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97283243
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
CID 97275895
5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 97195093
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine
CID 135104380
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 99942756
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 131916150
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 107510376

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 131930333) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is COCCN1CCC(CN(C)c2nnc(C)s2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YLJZEHXAEMGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-10-13-14-12(18-10)15(2)8-11-4-5-16(9-11)6-7-17-3/h11H,4-9H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).