N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide

C10H16N4OS — CID 3157320

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide
SMILESCc1nnc(NC(=O)C(C)N2CCCC2)s1
InChIInChI=1S/C10H16N4OS/c1-7(14-5-3-4-6-14)9(15)11-10-13-12-8(2)16-10/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeySJDKFBXQKQSMEZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.27
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 3157320) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide
PubChem CID3157320
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide
SMILESCc1nnc(NC(=O)C(C)N2CCCC2)s1
InChIInChI=1S/C10H16N4OS/c1-7(14-5-3-4-6-14)9(15)11-10-13-12-8(2)16-10/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeySJDKFBXQKQSMEZ-UHFFFAOYSA-N
XLogP1.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide (CID 3157320) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide is Cc1nnc(NC(=O)C(C)N2CCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is SJDKFBXQKQSMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(14-5-3-4-6-14)9(15)11-10-13-12-8(2)16-10/h7H,3-6H2,1-2H3,(H,11,13,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 3157320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).