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

C13H14N2OS — CID 38163110

IUPAC4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCc1ccc(C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)12(16)14-13-15(2)8-9-17-13/h4-9H,3H2,1-2H3/b14-13+
InChIKeyNQKVFBJWFYRZQQ-BUHFOSPRSA-N
MW246.34 g/mol
LogP2.39
Rot. Bonds2

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

4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 38163110) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID38163110
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCc1ccc(C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)12(16)14-13-15(2)8-9-17-13/h4-9H,3H2,1-2H3/b14-13+
InChIKeyNQKVFBJWFYRZQQ-BUHFOSPRSA-N
XLogP2.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
CID 38163154
4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9119081
2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 14442056
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide
CID 4844639
3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31287291
3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 4851403
N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
CID 56777924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 38163110) is 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CCc1ccc(C(=O)/N=c2/sccn2C)cc1.
What is the InChIKey of 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is NQKVFBJWFYRZQQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-10-4-6-11(7-5-10)12(16)14-13-15(2)8-9-17-13/h4-9H,3H2,1-2H3/b14-13+.
What are the key properties of 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 38163110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).