N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C10H12N4OS3 — CID 4672117

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(C)cs2)s1
InChIInChI=1S/C10H12N4OS3/c1-3-8-13-14-9(18-8)12-7(15)5-17-10-11-6(2)4-16-10/h4H,3,5H2,1-2H3,(H,12,14,15)
InChIKeyVLUCDLFJEKKGIF-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.60
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 4672117) has the molecular formula C10H12N4OS3 and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID4672117
Molecular FormulaC10H12N4OS3
Molecular Weight300.43 g/mol
Exact Mass300.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(C)cs2)s1
InChIInChI=1S/C10H12N4OS3/c1-3-8-13-14-9(18-8)12-7(15)5-17-10-11-6(2)4-16-10/h4H,3,5H2,1-2H3,(H,12,14,15)
InChIKeyVLUCDLFJEKKGIF-UHFFFAOYSA-N
XLogP2.60
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 4672117) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nc(C)cs2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VLUCDLFJEKKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS3/c1-3-8-13-14-9(18-8)12-7(15)5-17-10-11-6(2)4-16-10/h4H,3,5H2,1-2H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4672117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).