N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide

C11H12N2OS2 — CID 977158

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyXNGMFDZURPNEDZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide (PubChem CID 977158) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
PubChem CID977158
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyXNGMFDZURPNEDZ-UHFFFAOYSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-{[2-(phenylthio)ethyl]thio}-4-pyrimidinol
CID 135547407
4-amino-2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-1H-pyrimidin-6-one
CID 135749818
2-[(4-methylphenyl)thio]-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 135455148
6-Amino-2-({2-[(2-fluorophenyl)sulfanyl]ethyl}sulfanyl)-4(3H)-pyrimidinone
CID 135543506
(2E)-5-methyl-2-[(E)-3-phenylsulfanylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136032620
(2E)-5-methyl-2-[(E)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136203714
4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-
CID 478084
2-(Cyclopentylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135496373
2-(sec-Butylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135499677
(2Z)-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136180660
(2Z)-2-[(Z)-3-phenylsulfanylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136180662
N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 4855555

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide (CID 977158) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is XNGMFDZURPNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c14-10(13-11-12-6-7-15-11)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 252.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).