N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C16H15N3O3S2 — CID 90444251

IUPACN-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(CO)cc2)ns1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S2/c20-9-11-3-5-12(6-4-11)15-18-16(24-19-15)23-10-14(21)17-8-13-2-1-7-22-13/h1-7,20H,8-10H2,(H,17,21)
InChIKeyMABOTGSMUBEWAN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.70
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 90444251) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID90444251
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(CO)cc2)ns1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S2/c20-9-11-3-5-12(6-4-11)15-18-16(24-19-15)23-10-14(21)17-8-13-2-1-7-22-13/h1-7,20H,8-10H2,(H,17,21)
InChIKeyMABOTGSMUBEWAN-UHFFFAOYSA-N
XLogP2.70
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557212
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 684732
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851988
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832954
N-(furan-2-ylmethyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 865332
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 90444251) is N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccc(CO)cc2)ns1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is MABOTGSMUBEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-9-11-3-5-12(6-4-11)15-18-16(24-19-15)23-10-14(21)17-8-13-2-1-7-22-13/h1-7,20H,8-10H2,(H,17,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[3-[4-(hydroxymethyl)phenyl]-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 90444251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).