methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate

C12H20N4O2S — CID 80608083

IUPACmethyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate
SMILESCCCNc1nnc(CN2CCC(C(=O)OC)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)8-16-6-4-9(7-16)11(17)18-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyCPNWVZXUGFUJAU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.35
Rot. Bonds6

About methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate

methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate (PubChem CID 80608083) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate
PubChem CID80608083
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Namemethyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate
SMILESCCCNc1nnc(CN2CCC(C(=O)OC)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)8-16-6-4-9(7-16)11(17)18-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyCPNWVZXUGFUJAU-UHFFFAOYSA-N
XLogP1.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate with MolForge

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Related Compounds

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 102966690
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80609041
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606715
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
methyl 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 113229250
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
1-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 170458655

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate (CID 80608083) is methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate is CCCNc1nnc(CN2CCC(C(=O)OC)C2)s1.
What is the InChIKey of methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate?
The InChIKey is CPNWVZXUGFUJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)8-16-6-4-9(7-16)11(17)18-2/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate?
methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 80608083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).