N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

C16H18N2O3S — CID 46066159

IUPACN-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C16H18N2O3S/c1-3-21-13-7-4-10(8-14(13)20-2)16-18-12(9-22-16)15(19)17-11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyXQSUUCXBHUGWMS-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.11
Rot. Bonds6

About N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066159) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066159
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C16H18N2O3S/c1-3-21-13-7-4-10(8-14(13)20-2)16-18-12(9-22-16)15(19)17-11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyXQSUUCXBHUGWMS-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 24621472
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
2-(3,4-dimethoxyphenyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24503094
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066159) is N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XQSUUCXBHUGWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-21-13-7-4-10(8-14(13)20-2)16-18-12(9-22-16)15(19)17-11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).