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

C14H18N4O2S — CID 116665052

IUPAC4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)c2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S/c1-4-16-14-17-12(15)11(21-14)13(19)18(2)9-7-5-6-8-10(9)20-3/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeySORUDUFNJJVSRM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.44
Rot. Bonds5

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

4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116665052) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116665052
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)c2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S/c1-4-16-14-17-12(15)11(21-14)13(19)18(2)9-7-5-6-8-10(9)20-3/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeySORUDUFNJJVSRM-UHFFFAOYSA-N
XLogP2.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665055
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
6-(ethylamino)-N-(2-methoxyphenyl)-N-methylpyridazine-3-carboxamide
CID 62174900
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618395
4-amino-N-ethyl-2-(ethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665070
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116672171
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 116665052) is 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(C)c2ccccc2OC)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SORUDUFNJJVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-16-14-17-12(15)11(21-14)13(19)18(2)9-7-5-6-8-10(9)20-3/h5-8H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(2-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).