2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C15H15N3OS3 — CID 702082

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1
InChIInChI=1S/C15H15N3OS3/c1-10-13(11-5-3-2-4-6-11)18-14(22-10)17-12(19)9-21-15-16-7-8-20-15/h2-6H,7-9H2,1H3,(H,17,18,19)
InChIKeyYCFKHXQVUDCTPN-UHFFFAOYSA-N
MW349.51 g/mol
LogP3.89
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 702082) has the molecular formula C15H15N3OS3 and a molecular weight of 349.51 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID702082
Molecular FormulaC15H15N3OS3
Molecular Weight349.51 g/mol
Exact Mass349.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1
InChIInChI=1S/C15H15N3OS3/c1-10-13(11-5-3-2-4-6-11)18-14(22-10)17-12(19)9-21-15-16-7-8-20-15/h2-6H,7-9H2,1H3,(H,17,18,19)
InChIKeyYCFKHXQVUDCTPN-UHFFFAOYSA-N
XLogP3.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 702082) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YCFKHXQVUDCTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS3/c1-10-13(11-5-3-2-4-6-11)18-14(22-10)17-12(19)9-21-15-16-7-8-20-15/h2-6H,7-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 349.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 702082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).