[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

C11H11N3OS — CID 14306196

IUPAC[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1cccc(O)c1
InChIInChI=1S/C11H11N3OS/c12-8-13-11-14(4-5-16-11)7-9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7H2/b13-11-
InChIKeyNSHPMWXSEUZESX-QBFSEMIESA-N
MW233.30 g/mol
LogP1.78
Rot. Bonds2

About [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 14306196) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID14306196
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1cccc(O)c1
InChIInChI=1S/C11H11N3OS/c12-8-13-11-14(4-5-16-11)7-9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7H2/b13-11-
InChIKeyNSHPMWXSEUZESX-QBFSEMIESA-N
XLogP1.78
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;phosphoric acid
CID 174731566
4-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]butanenitrile
CID 71866270
3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
CID 43649079
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
3-[(1,1-dioxo-1,2,5-thiadiazepan-2-yl)methyl]phenol
CID 115101053
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 75396630

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 14306196) is [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1Cc1cccc(O)c1.
What is the InChIKey of [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is NSHPMWXSEUZESX-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11N3OS/c12-8-13-11-14(4-5-16-11)7-9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7H2/b13-11-.
What are the key properties of [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 233.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 14306196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).