N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C19H14N2O2S2 — CID 1139483

IUPACN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N2O2S2/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyYJPUGLMSYPVQAF-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.31
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 1139483) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID1139483
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC NameN-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N2O2S2/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyYJPUGLMSYPVQAF-UHFFFAOYSA-N
XLogP5.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.31
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-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 1139483) is N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is YJPUGLMSYPVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-18(17-9-5-11-24-17)21(12-15-8-4-10-23-15)19-20-16(13-25-19)14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 5.31, 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-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1139483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).