N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide

C18H18N2O3S2 — CID 7119220

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1OC
InChIInChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(10-15(14)23-2)18-20-13(11-25-18)7-8-19-17(21)16-4-3-9-24-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyMSTZYTRQCHSMPR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.86
Rot. Bonds7

About N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7119220) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
PubChem CID7119220
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1OC
InChIInChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(10-15(14)23-2)18-20-13(11-25-18)7-8-19-17(21)16-4-3-9-24-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyMSTZYTRQCHSMPR-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3878872
5-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]thiophene-2-carboxylic acid
CID 10045012
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289
Thiophene-2-carboxylic acid (3-diethylamino-propyl)-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amide
CID 653546
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
CID 2365274
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
3,4-diethoxy-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 16028725
3,4,5-triethoxy-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 16031901
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-(trifluoromethyl)benzamide
CID 16031912
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-ethoxybenzamide
CID 16031923

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide (CID 7119220) is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is MSTZYTRQCHSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(10-15(14)23-2)18-20-13(11-25-18)7-8-19-17(21)16-4-3-9-24-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7119220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).