N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide

C10H9N3O2S — CID 38163154

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H9N3O2S/c1-12-6-7-16-10(12)11-9(14)8-2-4-13(15)5-3-8/h2-7H,1H3/b11-10+
InChIKeyFYAPKFBLJWBUBH-ZHACJKMWSA-N
MW235.27 g/mol
LogP0.46
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 38163154) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID38163154
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1cc[n+]([O-])cc1
InChIInChI=1S/C10H9N3O2S/c1-12-6-7-16-10(12)11-9(14)8-2-4-13(15)5-3-8/h2-7H,1H3/b11-10+
InChIKeyFYAPKFBLJWBUBH-ZHACJKMWSA-N
XLogP0.46
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 95148026
4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9119081
4-(methylsulfonylmethyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101363
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 71899527
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-3,5-dinitrobenzamide
CID 38163157
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 24687249
N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
CID 9101394
N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
CID 24660492

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide (CID 38163154) is N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide is Cn1ccs/c1=N/C(=O)c1cc[n+]([O-])cc1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is FYAPKFBLJWBUBH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-12-6-7-16-10(12)11-9(14)8-2-4-13(15)5-3-8/h2-7H,1H3/b11-10+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 38163154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).