N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

C19H14N2O3S2 — CID 4606227

IUPACN-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCCc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1cccs1
InChIInChI=1S/C19H14N2O3S2/c1-2-14-16(15-8-5-9-25-15)20-19(26-14)21-17(22)12-10-11-6-3-4-7-13(11)24-18(12)23/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyHFOMREMJMAZZBP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.79
Rot. Bonds4

About N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 4606227) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID4606227
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC NameN-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCCc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1cccs1
InChIInChI=1S/C19H14N2O3S2/c1-2-14-16(15-8-5-9-25-15)20-19(26-14)21-17(22)12-10-11-6-3-4-7-13(11)24-18(12)23/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyHFOMREMJMAZZBP-UHFFFAOYSA-N
XLogP4.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_H(1)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (CID 4606227) is N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is CCc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1cccs1.
What is the InChIKey of N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is HFOMREMJMAZZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-2-14-16(15-8-5-9-25-15)20-19(26-14)21-17(22)12-10-11-6-3-4-7-13(11)24-18(12)23/h3-10H,2H2,1H3,(H,20,21,22).
What are the key properties of N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4606227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).