N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C8H8N4OS3 — CID 18161307

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSc2nncs2)n1
InChIInChI=1S/C8H8N4OS3/c1-5-2-14-7(10-5)11-6(13)3-15-8-12-9-4-16-8/h2,4H,3H2,1H3,(H,10,11,13)
InChIKeyWMBFBBAHEDKMDS-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.03
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 18161307) has the molecular formula C8H8N4OS3 and a molecular weight of 272.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID18161307
Molecular FormulaC8H8N4OS3
Molecular Weight272.38 g/mol
Exact Mass271.99
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1csc(NC(=O)CSc2nncs2)n1
InChIInChI=1S/C8H8N4OS3/c1-5-2-14-7(10-5)11-6(13)3-15-8-12-9-4-16-8/h2,4H,3H2,1H3,(H,10,11,13)
InChIKeyWMBFBBAHEDKMDS-UHFFFAOYSA-N
XLogP2.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 18161307) is N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1csc(NC(=O)CSc2nncs2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is WMBFBBAHEDKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS3/c1-5-2-14-7(10-5)11-6(13)3-15-8-12-9-4-16-8/h2,4H,3H2,1H3,(H,10,11,13).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 272.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 18161307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).