N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C11H12N2OS3 — CID 17405005

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSCc2cccs2)s1
InChIInChI=1S/C11H12N2OS3/c1-8-5-12-11(17-8)13-10(14)7-15-6-9-3-2-4-16-9/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyUTBXTKVINDFPDV-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.38
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 17405005) has the molecular formula C11H12N2OS3 and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID17405005
Molecular FormulaC11H12N2OS3
Molecular Weight284.43 g/mol
Exact Mass284.01
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSCc2cccs2)s1
InChIInChI=1S/C11H12N2OS3/c1-8-5-12-11(17-8)13-10(14)7-15-6-9-3-2-4-16-9/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyUTBXTKVINDFPDV-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2307157
N-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 2116452
5-methyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 9106883
2-(phenylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2303777
2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2522154
(2E)-N-(1,3-thiazol-2-yl)-3-(thiophen-2-yl)prop-2-enamide
CID 2163248
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2558912
N-(5-methyl-1,3-thiazol-2-yl)-2-(phenylsulfanyl)acetamide
CID 900889
3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 1252000
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2193996
2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2194055
5-((Thiophen-2-yl)methyl)-1,3-thiazol-2-amine
CID 12143947

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 17405005) is N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is Cc1cnc(NC(=O)CSCc2cccs2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is UTBXTKVINDFPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS3/c1-8-5-12-11(17-8)13-10(14)7-15-6-9-3-2-4-16-9/h2-5H,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 17405005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).