1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone

C10H9N3O2S — CID 4292209

IUPAC1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
SMILES[H]/N=c1\sc(C(C)=O)nn1-c1cccc(O)c1
InChIInChI=1S/C10H9N3O2S/c1-6(14)9-12-13(10(11)16-9)7-3-2-4-8(15)5-7/h2-5,11,15H,1H3/b11-10-
InChIKeyJOIKFAQOSLSBBE-KHPPLWFESA-N
MW235.27 g/mol
LogP1.32
Rot. Bonds2

About 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone

1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone (PubChem CID 4292209) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
PubChem CID4292209
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
SMILES[H]/N=c1\sc(C(C)=O)nn1-c1cccc(O)c1
InChIInChI=1S/C10H9N3O2S/c1-6(14)9-12-13(10(11)16-9)7-3-2-4-8(15)5-7/h2-5,11,15H,1H3/b11-10-
InChIKeyJOIKFAQOSLSBBE-KHPPLWFESA-N
XLogP1.32
TPSA78.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
CID 2753571
1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
CID 4292212
1-(6-hydroxy-2-imino-1,3-benzothiazol-3-yl)ethanone
CID 59776993
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139
1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
CID 115041852
1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
CID 23659234
N-[5-acetyl-3-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
CID 4549044
3-(5-bromopyrazol-1-yl)phenol
CID 84701027
1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
4-(difluoromethyl)-2-(3-hydroxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 13488722
3-(5-amino-4-ethyltriazol-1-yl)phenol
CID 105456148
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71040668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone (CID 4292209) is 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone is [H]/N=c1\sc(C(C)=O)nn1-c1cccc(O)c1.
What is the InChIKey of 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The InChIKey is JOIKFAQOSLSBBE-KHPPLWFESA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6(14)9-12-13(10(11)16-9)7-3-2-4-8(15)5-7/h2-5,11,15H,1H3/b11-10-.
What are the key properties of 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone has a molecular weight of 235.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone is sourced from PubChem (CID 4292209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).