4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C12H12N2O2S — CID 2082412

IUPAC4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sccn2C)cc1
InChIInChI=1S/C12H12N2O2S/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3/b13-12-
InChIKeySQDWSMPIRGBKQX-SEYXRHQNSA-N
MW248.31 g/mol
LogP1.84
Rot. Bonds2

About 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 2082412) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID2082412
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2\sccn2C)cc1
InChIInChI=1S/C12H12N2O2S/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3/b13-12-
InChIKeySQDWSMPIRGBKQX-SEYXRHQNSA-N
XLogP1.84
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide
CID 2552807
Ethyl 3,4-dimethyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-thiazole-5-carboxylate
CID 3341993
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
(4-methoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5024635
4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101240
[2-(4-Methoxy-benzoylamino)-4-oxo-4H-thiazol-5-ylidene]-acetic acid methyl ester
CID 135408459
(E)-methyl 2-(2-(4-methoxybenzamido)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135486323
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 669435
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 860103
4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide
CID 2322773

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 2082412) is 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is COc1ccc(C(=O)/N=c2\sccn2C)cc1.
What is the InChIKey of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is SQDWSMPIRGBKQX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(16-2)6-4-9/h3-8H,1-2H3/b13-12-.
What are the key properties of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 2082412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).