N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H16N2O2S2 — CID 1175951

IUPACN-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C20H16N2O2S2/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h2-11,13H,12H2,1H3
InChIKeyFAHNEMONHPQGAE-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.62
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1175951) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1175951
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C20H16N2O2S2/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h2-11,13H,12H2,1H3
InChIKeyFAHNEMONHPQGAE-UHFFFAOYSA-N
XLogP5.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1175951) is N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is FAHNEMONHPQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h2-11,13H,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1175951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).