1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide

C9H15N5OS — CID 80606665

IUPAC1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNc1nnc(CN2CCCC2C(N)=O)s1
InChIInChI=1S/C9H15N5OS/c1-11-9-13-12-7(16-9)5-14-4-2-3-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13)
InChIKeyMTOMMNXTZRMJRQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.03
Rot. Bonds4

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

1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 80606665) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID80606665
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNc1nnc(CN2CCCC2C(N)=O)s1
InChIInChI=1S/C9H15N5OS/c1-11-9-13-12-7(16-9)5-14-4-2-3-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13)
InChIKeyMTOMMNXTZRMJRQ-UHFFFAOYSA-N
XLogP0.03
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 80606665) is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide is CNc1nnc(CN2CCCC2C(N)=O)s1.
What is the InChIKey of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MTOMMNXTZRMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-11-9-13-12-7(16-9)5-14-4-2-3-6(14)8(10)15/h6H,2-5H2,1H3,(H2,10,15)(H,11,13).
What are the key properties of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide?
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80606665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).