N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C12H16N4OS3 — CID 17435259

IUPACN,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C12H16N4OS3/c1-16(2)10(17)8-19-12-15-14-11(20-12)13-6-5-9-4-3-7-18-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyMPERZCUEVVNBCZ-UHFFFAOYSA-N
MW328.49 g/mol
LogP2.43
Rot. Bonds7

About N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 17435259) has the molecular formula C12H16N4OS3 and a molecular weight of 328.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID17435259
Molecular FormulaC12H16N4OS3
Molecular Weight328.49 g/mol
Exact Mass328.05
IUPAC NameN,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C12H16N4OS3/c1-16(2)10(17)8-19-12-15-14-11(20-12)13-6-5-9-4-3-7-18-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyMPERZCUEVVNBCZ-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 17435259) is N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CN(C)C(=O)CSc1nnc(NCCc2cccs2)s1.
What is the InChIKey of N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MPERZCUEVVNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS3/c1-16(2)10(17)8-19-12-15-14-11(20-12)13-6-5-9-4-3-7-18-9/h3-4,7H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 328.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17435259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).