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

C17H16N2O3S2 — CID 655178

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)c2nccs2)cc1OC
InChIInChI=1S/C17H16N2O3S2/c1-21-13-6-5-12(10-14(13)22-2)11-19(17-18-7-9-24-17)16(20)15-4-3-8-23-15/h3-10H,11H2,1-2H3
InChIKeyQEJHONONXRCSCA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.07
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 655178) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID655178
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)c2nccs2)cc1OC
InChIInChI=1S/C17H16N2O3S2/c1-21-13-6-5-12(10-14(13)22-2)11-19(17-18-7-9-24-17)16(20)15-4-3-8-23-15/h3-10H,11H2,1-2H3
InChIKeyQEJHONONXRCSCA-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 655178) is N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is COc1ccc(CN(C(=O)c2cccs2)c2nccs2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QEJHONONXRCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-21-13-6-5-12(10-14(13)22-2)11-19(17-18-7-9-24-17)16(20)15-4-3-8-23-15/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 655178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).