(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

C6H5N3OS — CID 135415452

IUPAC(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(/C(C#N)=N/O)n1
InChIInChI=1S/C6H5N3OS/c1-4-3-11-6(8-4)5(2-7)9-10/h3,10H,1H3/b9-5+
InChIKeyCHOVGJJHNHSEPT-WEVVVXLNSA-N
MW167.19 g/mol
LogP1.15
Rot. Bonds1

About (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 135415452) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID135415452
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(/C(C#N)=N/O)n1
InChIInChI=1S/C6H5N3OS/c1-4-3-11-6(8-4)5(2-7)9-10/h3,10H,1H3/b9-5+
InChIKeyCHOVGJJHNHSEPT-WEVVVXLNSA-N
XLogP1.15
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethylthiazole
CID 10934
2-Isopropyl-4-methylthiazole
CID 61808
2-Ethyl-4-methyl thiazole
CID 27440
4-Methyl-2-propylthiazole
CID 521382
2-(2-Methyl-1,3-thiazol-4-yl)acetonitrile
CID 2320580
2-(4-Methyl-1,3-thiazol-2-yl)acetonitrile
CID 737184
2-Methyl-1,3-thiazole-4-carbonitrile
CID 2799281
4-Methyl-1,3-thiazole-2-carbonimidoyl cyanide
CID 135600397
4-Methylthiazole-2-carbonitrile
CID 16218153
2-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)acetonitrile
CID 22496052
2-(2-(Propan-2-yl)-1,3-thiazol-4-yl)acetonitrile
CID 45791957
(E)-N'-hydroxy-2-(4-methylthiazol-2-yl)acetimidamide
CID 7364003

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (CID 135415452) is (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is Cc1csc(/C(C#N)=N/O)n1.
What is the InChIKey of (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is CHOVGJJHNHSEPT-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4-3-11-6(8-4)5(2-7)9-10/h3,10H,1H3/b9-5+.
What are the key properties of (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
(2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 167.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 135415452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).