2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

C10H12N2O2S2 — CID 766893

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC1=NCCS1)NCc1ccco1
InChIInChI=1S/C10H12N2O2S2/c13-9(7-16-10-11-3-5-15-10)12-6-8-2-1-4-14-8/h1-2,4H,3,5-7H2,(H,12,13)
InChIKeyKQXXFURALBXSME-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.73
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 766893) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID766893
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC1=NCCS1)NCc1ccco1
InChIInChI=1S/C10H12N2O2S2/c13-9(7-16-10-11-3-5-15-10)12-6-8-2-1-4-14-8/h1-2,4H,3,5-7H2,(H,12,13)
InChIKeyKQXXFURALBXSME-UHFFFAOYSA-N
XLogP1.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Furan-2-yl)-1,3-thiazolidine
CID 593153
N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
[(Furan-2-yl)methyl]urea
CID 587724
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
4-Amino-3-ET-N-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3245795
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
N,N'-Difurfuryloxamide
CID 330826
3-Furfuryl-rhodanine
CID 557397
Bis((furan-2-yl)methyl)amine
CID 557214
N-Furfurylmaleimide
CID 292901
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
N-(2-furylmethyl)-2-(1-pyrrolidinyl)-2-thioxoacetamide
CID 2975846

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 766893) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSC1=NCCS1)NCc1ccco1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KQXXFURALBXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-9(7-16-10-11-3-5-15-10)12-6-8-2-1-4-14-8/h1-2,4H,3,5-7H2,(H,12,13).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 766893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).