(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one

C15H14N2O2S — CID 47073016

IUPAC(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
SMILESCC(C)c1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2
InChIInChI=1S/C15H14N2O2S/c1-9(2)10-3-4-14-13(6-10)15(18)11(7-19-14)5-12-8-20-17-16-12/h3-6,8-9H,7H2,1-2H3/b11-5-
InChIKeyWMLIKZSDWYTAGB-WZUFQYTHSA-N
MW286.36 g/mol
LogP3.32
Rot. Bonds2

About (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one

(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one (PubChem CID 47073016) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
PubChem CID47073016
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one
SMILESCC(C)c1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2
InChIInChI=1S/C15H14N2O2S/c1-9(2)10-3-4-14-13(6-10)15(18)11(7-19-14)5-12-8-20-17-16-12/h3-6,8-9H,7H2,1-2H3/b11-5-
InChIKeyWMLIKZSDWYTAGB-WZUFQYTHSA-N
XLogP3.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The IUPAC name of (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one (CID 47073016) is (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The canonical SMILES for (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one is CC(C)c1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2.
What is the InChIKey of (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The InChIKey is WMLIKZSDWYTAGB-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9(2)10-3-4-14-13(6-10)15(18)11(7-19-14)5-12-8-20-17-16-12/h3-6,8-9H,7H2,1-2H3/b11-5-.
What are the key properties of (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
(3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-propan-2-yl-3-(thiadiazol-4-ylmethylidene)chromen-4-one is sourced from PubChem (CID 47073016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).