N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C12H20N4OS2 — CID 60564195

IUPACN,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-3-15(4-2)10(17)9-18-12-14-13-11(19-12)16-7-5-6-8-16/h3-9H2,1-2H3
InChIKeyTXECBVCXMPCKGN-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.10
Rot. Bonds6

About N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 60564195) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID60564195
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC NameN,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-3-15(4-2)10(17)9-18-12-14-13-11(19-12)16-7-5-6-8-16/h3-9H2,1-2H3
InChIKeyTXECBVCXMPCKGN-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 60564195) is N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(N2CCCC2)s1.
What is the InChIKey of N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is TXECBVCXMPCKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-3-15(4-2)10(17)9-18-12-14-13-11(19-12)16-7-5-6-8-16/h3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 60564195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).