2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

C19H21N3O2S2 — CID 56558235

IUPAC2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCc3csc(C(C)C)n3)cs2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-4-24-15-7-5-13(6-8-15)19-22-16(11-26-19)17(23)20-9-14-10-25-18(21-14)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,20,23)
InChIKeyJYZFUZLRZFKHGK-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.72
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56558235) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56558235
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCc3csc(C(C)C)n3)cs2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-4-24-15-7-5-13(6-8-15)19-22-16(11-26-19)17(23)20-9-14-10-25-18(21-14)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,20,23)
InChIKeyJYZFUZLRZFKHGK-UHFFFAOYSA-N
XLogP4.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71861930
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 46434134
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 56558235) is 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NCc3csc(C(C)C)n3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JYZFUZLRZFKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-4-24-15-7-5-13(6-8-15)19-22-16(11-26-19)17(23)20-9-14-10-25-18(21-14)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56558235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).