3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide

C14H16N4O2S — CID 62799063

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cc2csc(N)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-2-16-13(20)9-4-3-5-10(6-9)17-12(19)7-11-8-21-14(15)18-11/h3-6,8H,2,7H2,1H3,(H2,15,18)(H,16,20)(H,17,19)
InChIKeyLPWJNLDJRXKMBP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.66
Rot. Bonds5

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 62799063) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID62799063
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cc2csc(N)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-2-16-13(20)9-4-3-5-10(6-9)17-12(19)7-11-8-21-14(15)18-11/h3-6,8H,2,7H2,1H3,(H2,15,18)(H,16,20)(H,17,19)
InChIKeyLPWJNLDJRXKMBP-UHFFFAOYSA-N
XLogP1.66
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 62799415
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 46442581
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-acetamido-N-ethylbenzamide
CID 17230670
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 46982332

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide (CID 62799063) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)Cc2csc(N)n2)c1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is LPWJNLDJRXKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-2-16-13(20)9-4-3-5-10(6-9)17-12(19)7-11-8-21-14(15)18-11/h3-6,8H,2,7H2,1H3,(H2,15,18)(H,16,20)(H,17,19).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 304.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 62799063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).