N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C18H23N3O2S — CID 119572444

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)(CN)C3CC3)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-23-14-8-4-12(5-9-14)17-20-15(10-24-17)16(22)21-18(2,11-19)13-6-7-13/h4-5,8-10,13H,3,6-7,11,19H2,1-2H3,(H,21,22)
InChIKeyWUNCTHFIUUFCSC-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.07
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119572444) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119572444
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)(CN)C3CC3)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-3-23-14-8-4-12(5-9-14)17-20-15(10-24-17)16(22)21-18(2,11-19)13-6-7-13/h4-5,8-10,13H,3,6-7,11,19H2,1-2H3,(H,21,22)
InChIKeyWUNCTHFIUUFCSC-UHFFFAOYSA-N
XLogP3.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81485764
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119574434
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119455343
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 119572444) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC(C)(CN)C3CC3)cs2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WUNCTHFIUUFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-23-14-8-4-12(5-9-14)17-20-15(10-24-17)16(22)21-18(2,11-19)13-6-7-13/h4-5,8-10,13H,3,6-7,11,19H2,1-2H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119572444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).