N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C10H12N4OS3 — CID 75445497

IUPACN-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCc1cnc(NC(=O)CSc2nncs2)s1
InChIInChI=1S/C10H12N4OS3/c1-2-3-7-4-11-9(18-7)13-8(15)5-16-10-14-12-6-17-10/h4,6H,2-3,5H2,1H3,(H,11,13,15)
InChIKeyBKFJVDQWYAIUHT-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.68
Rot. Bonds6

About N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 75445497) has the molecular formula C10H12N4OS3 and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID75445497
Molecular FormulaC10H12N4OS3
Molecular Weight300.43 g/mol
Exact Mass300.02
IUPAC NameN-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCc1cnc(NC(=O)CSc2nncs2)s1
InChIInChI=1S/C10H12N4OS3/c1-2-3-7-4-11-9(18-7)13-8(15)5-16-10-14-12-6-17-10/h4,6H,2-3,5H2,1H3,(H,11,13,15)
InChIKeyBKFJVDQWYAIUHT-UHFFFAOYSA-N
XLogP2.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 75445497) is N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CCCc1cnc(NC(=O)CSc2nncs2)s1.
What is the InChIKey of N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is BKFJVDQWYAIUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS3/c1-2-3-7-4-11-9(18-7)13-8(15)5-16-10-14-12-6-17-10/h4,6H,2-3,5H2,1H3,(H,11,13,15).
What are the key properties of N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3-thiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 75445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).