N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

C15H18N2O4S3 — CID 55570614

IUPACN-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESCC(SCc1csc(-c2ccco2)n1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O4S3/c1-10(14(18)16-11-4-6-24(19,20)9-11)22-7-12-8-23-15(17-12)13-3-2-5-21-13/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,16,18)
InChIKeyCKZLGOMXAMTWAT-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.33
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (PubChem CID 55570614) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
PubChem CID55570614
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESCC(SCc1csc(-c2ccco2)n1)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O4S3/c1-10(14(18)16-11-4-6-24(19,20)9-11)22-7-12-8-23-15(17-12)13-3-2-5-21-13/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,16,18)
InChIKeyCKZLGOMXAMTWAT-UHFFFAOYSA-N
XLogP2.33
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
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(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41089096
N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanylpropanamide
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2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
N-(1,1-dioxothiolan-3-yl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanamide
CID 17412729
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
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2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
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4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
CID 110296620
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl(furan-2-ylmethyl)amino]propanamide
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N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (CID 55570614) is N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is CC(SCc1csc(-c2ccco2)n1)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The InChIKey is CKZLGOMXAMTWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c1-10(14(18)16-11-4-6-24(19,20)9-11)22-7-12-8-23-15(17-12)13-3-2-5-21-13/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 55570614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).