4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 116664072

IUPAC4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2cccc(OCC)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-9-6-5-7-10(8-9)20-4-2/h5-8H,3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHLZXNZJOZLZDPW-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.81
Rot. Bonds6

About 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664072) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664072
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)Nc2cccc(OCC)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-9-6-5-7-10(8-9)20-4-2/h5-8H,3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHLZXNZJOZLZDPW-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

4-amino-2-(ethylamino)-N-(3-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 116668766
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616293
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
4-amino-2-(ethylamino)-N-(2,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665570
4-amino-2-(ethylamino)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665055
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 116664072) is 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)Nc2cccc(OCC)c2)s1.
What is the InChIKey of 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HLZXNZJOZLZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-9-6-5-7-10(8-9)20-4-2/h5-8H,3-4,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide 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 4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).