N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide

C12H11N3O2S2 — CID 137068987

IUPACN-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2sc(=S)[nH]c2O)cc1
InChIInChI=1S/C12H11N3O2S2/c1-7(16)14-9-4-2-8(3-5-9)13-6-10-11(17)15-12(18)19-10/h2-6,17H,1H3,(H,14,16)(H,15,18)/b13-6+
InChIKeyXTOUJMBACMRBRX-AWNIVKPZSA-N
MW293.37 g/mol
LogP3.22
Rot. Bonds3

About N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide

N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide (PubChem CID 137068987) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide
PubChem CID137068987
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC NameN-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2sc(=S)[nH]c2O)cc1
InChIInChI=1S/C12H11N3O2S2/c1-7(16)14-9-4-2-8(3-5-9)13-6-10-11(17)15-12(18)19-10/h2-6,17H,1H3,(H,14,16)(H,15,18)/b13-6+
InChIKeyXTOUJMBACMRBRX-AWNIVKPZSA-N
XLogP3.22
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068988
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
N-[4-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]phenyl]acetamide
CID 3279876
N-[4-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide
CID 1397609
N-[4-[[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]phenyl]acetamide
CID 1389847
5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CID 4755169
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
CID 1126479
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide (CID 137068987) is N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2sc(=S)[nH]c2O)cc1.
What is the InChIKey of N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide?
The InChIKey is XTOUJMBACMRBRX-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-7(16)14-9-4-2-8(3-5-9)13-6-10-11(17)15-12(18)19-10/h2-6,17H,1H3,(H,14,16)(H,15,18)/b13-6+.
What are the key properties of N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide?
N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 137068987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).