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

C19H14ClN3O3S2 — CID 154163972

IUPAC5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)Oc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1Cl
InChIInChI=1S/C19H14ClN3O3S2/c1-9(2)25-18-14(20)4-10(7-22-18)13-8-21-6-11-3-12(26-16(11)13)5-15-17(24)23-19(27)28-15/h3-9H,1-2H3,(H,23,24,27)
InChIKeyKNGVMHROKCPAOP-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.82
Rot. Bonds4

About 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

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 (PubChem CID 154163972) has the molecular formula C19H14ClN3O3S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154163972
Molecular FormulaC19H14ClN3O3S2
Molecular Weight431.93 g/mol
Exact Mass431.02
IUPAC Name5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)Oc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1Cl
InChIInChI=1S/C19H14ClN3O3S2/c1-9(2)25-18-14(20)4-10(7-22-18)13-8-21-6-11-3-12(26-16(11)13)5-15-17(24)23-19(27)28-15/h3-9H,1-2H3,(H,23,24,27)
InChIKeyKNGVMHROKCPAOP-UHFFFAOYSA-N
XLogP4.82
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.82
H-Bond Donors ≤ 51
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'}

Analyze 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 with MolForge

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Related Compounds

(5E)-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 118090055
(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-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090460
(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089658
(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090757
5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154153468
(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
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669
methyl 2-chloro-5-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 118090609
(5E)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090525
(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-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1Cl.
What is the InChIKey of 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?
The InChIKey is KNGVMHROKCPAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c1-9(2)25-18-14(20)4-10(7-22-18)13-8-21-6-11-3-12(26-16(11)13)5-15-17(24)23-19(27)28-15/h3-9H,1-2H3,(H,23,24,27).
What are the key properties of 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?
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 has a molecular weight of 431.93 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154163972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).