3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide

C14H14ClN3O2S — CID 51067241

IUPAC3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCCNC(=O)Cn1ccs/c1=N/C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O2S/c1-2-16-12(19)9-18-6-7-21-14(18)17-13(20)10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,19)/b17-14+
InChIKeyWPYFGCSZFNZPNQ-SAPNQHFASA-N
MW323.81 g/mol
LogP2.08
Rot. Bonds4

About 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide

3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 51067241) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID51067241
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCCNC(=O)Cn1ccs/c1=N/C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O2S/c1-2-16-12(19)9-18-6-7-21-14(18)17-13(20)10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,19)/b17-14+
InChIKeyWPYFGCSZFNZPNQ-SAPNQHFASA-N
XLogP2.08
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
methyl 2-[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]acetate
CID 139743734
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892
3-chloro-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazol-2-ylidene]benzamide
CID 51067230
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 2551153
3-chloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-2-ylidene]benzamide
CID 131843506
N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
CID 130609000
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
3,5-dinitro-N-(3-phenacyl-1,3-thiazol-2-ylidene)benzamide
CID 126211479
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
methyl 2-[2-(3-chlorobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997170
ethyl 2-[4-chloro-2-(3-chlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203652

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide (CID 51067241) is 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide is CCNC(=O)Cn1ccs/c1=N/C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is WPYFGCSZFNZPNQ-SAPNQHFASA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-2-16-12(19)9-18-6-7-21-14(18)17-13(20)10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,19)/b17-14+.
What are the key properties of 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide?
3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 323.81 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 51067241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).