N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide

C14H18N4O2S — CID 166871761

IUPACN-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide
SMILESCCNc1cccc(OCC)c1C(=O)Nc1ncc(N)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-9-6-5-7-10(20-4-2)12(9)13(19)18-14-17-8-11(15)21-14/h5-8,16H,3-4,15H2,1-2H3,(H,17,18,19)
InChIKeySAHNXRDNBHXQSS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.81
Rot. Bonds6

About N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide

N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide (PubChem CID 166871761) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide
PubChem CID166871761
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide
SMILESCCNc1cccc(OCC)c1C(=O)Nc1ncc(N)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-9-6-5-7-10(20-4-2)12(9)13(19)18-14-17-8-11(15)21-14/h5-8,16H,3-4,15H2,1-2H3,(H,17,18,19)
InChIKeySAHNXRDNBHXQSS-UHFFFAOYSA-N
XLogP2.81
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-6-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 167361920
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]-6-(butanoylamino)phenyl] butanoate
CID 166873078
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
[2-[(5-amino-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropyl carbonate
CID 146916166
2-amino-N-(5-amino-1,3-thiazol-2-yl)benzamide
CID 166871884
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
CID 81395596
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide?
The IUPAC name of N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide (CID 166871761) is N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide.
What is the SMILES notation for N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide?
The canonical SMILES for N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide is CCNc1cccc(OCC)c1C(=O)Nc1ncc(N)s1.
What is the InChIKey of N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide?
The InChIKey is SAHNXRDNBHXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-16-9-6-5-7-10(20-4-2)12(9)13(19)18-14-17-8-11(15)21-14/h5-8,16H,3-4,15H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide?
N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3-thiazol-2-yl)-2-ethoxy-6-(ethylamino)benzamide is sourced from PubChem (CID 166871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).