N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H14N2O2S2 — CID 779445

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyIDYMCUARKJZHCW-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.06
Rot. Bonds5

About N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 779445) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID779445
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyIDYMCUARKJZHCW-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 779445) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is IDYMCUARKJZHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 779445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).