3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide

C12H13ClN2O2S — CID 960169

IUPAC3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2=NCCS2)cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-2-17-10-4-3-8(7-9(10)13)11(16)15-12-14-5-6-18-12/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyIAMOBGNZPHVBRC-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide

3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide (PubChem CID 960169) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
PubChem CID960169
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2=NCCS2)cc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-2-17-10-4-3-8(7-9(10)13)11(16)15-12-14-5-6-18-12/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyIAMOBGNZPHVBRC-UHFFFAOYSA-N
XLogP2.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 924644
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 5091717
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
3-chloro-4-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100692685
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide (CID 960169) is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2=NCCS2)cc1Cl.
What is the InChIKey of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is IAMOBGNZPHVBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-2-17-10-4-3-8(7-9(10)13)11(16)15-12-14-5-6-18-12/h3-4,7H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide has a molecular weight of 284.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 960169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).