N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide

C19H13N3O4S2 — CID 118090421

IUPACN-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1
InChIInChI=1S/C19H13N3O4S2/c1-25-12-4-2-11(3-5-12)21-17(23)14-9-20-8-10-6-13(26-16(10)14)7-15-18(24)22-19(27)28-15/h2-9H,1H3,(H,21,23)(H,22,24,27)/b15-7-
InChIKeyHACNYUUNBCPCRF-CHHVJCJISA-N
MW411.46 g/mol
LogP3.58
Rot. Bonds4

About N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide

N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide (PubChem CID 118090421) has the molecular formula C19H13N3O4S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
PubChem CID118090421
Molecular FormulaC19H13N3O4S2
Molecular Weight411.46 g/mol
Exact Mass411.03
IUPAC NameN-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1
InChIInChI=1S/C19H13N3O4S2/c1-25-12-4-2-11(3-5-12)21-17(23)14-9-20-8-10-6-13(26-16(10)14)7-15-18(24)22-19(27)28-15/h2-9H,1H3,(H,21,23)(H,22,24,27)/b15-7-
InChIKeyHACNYUUNBCPCRF-CHHVJCJISA-N
XLogP3.58
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide
CID 140751522
2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide
CID 118089992
(5E)-5-[[7-[2-(4-methoxy-2-methylphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089875
methyl 2-fluoro-4-[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 154170267
N-(2-methoxyphenyl)-2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]acetamide
CID 142717654
(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090196
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669
5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154204400
(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090666
(5E)-5-[[7-(3-fluoro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090641
5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154163972
(5E)-5-[[7-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089694

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide (CID 118090421) is N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide is COc1ccc(NC(=O)c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?
The InChIKey is HACNYUUNBCPCRF-CHHVJCJISA-N. The full InChI is InChI=1S/C19H13N3O4S2/c1-25-12-4-2-11(3-5-12)21-17(23)14-9-20-8-10-6-13(26-16(10)14)7-15-18(24)22-19(27)28-15/h2-9H,1H3,(H,21,23)(H,22,24,27)/b15-7-.
What are the key properties of N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide?
N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 118090421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).