N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C16H14N2O2S2 — CID 1263321

IUPACN-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1
InChIInChI=1S/C16H14N2O2S2/c19-15(17-9-13-7-4-8-20-13)11-22-16-18-14(10-21-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,19)
InChIKeyVEGHCJCATXMVKW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.81
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 1263321) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID1263321
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1
InChIInChI=1S/C16H14N2O2S2/c19-15(17-9-13-7-4-8-20-13)11-22-16-18-14(10-21-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,19)
InChIKeyVEGHCJCATXMVKW-UHFFFAOYSA-N
XLogP3.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1265699
N-(furan-2-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1140859
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-(furan-2-ylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899437
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945
N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 18572857
N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2567762
N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 90444251
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 1263321) is N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VEGHCJCATXMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-15(17-9-13-7-4-8-20-13)11-22-16-18-14(10-21-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1263321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).