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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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).