(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one

C15H14N2O3S — CID 47072962

IUPAC(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
SMILESCCCOc1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2
InChIInChI=1S/C15H14N2O3S/c1-2-5-19-12-3-4-14-13(7-12)15(18)10(8-20-14)6-11-9-21-17-16-11/h3-4,6-7,9H,2,5,8H2,1H3/b10-6-
InChIKeyDYSCHCUGDPZELP-POHAHGRESA-N
MW302.36 g/mol
LogP2.99
Rot. Bonds4

About (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one

(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one (PubChem CID 47072962) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one.

Molecular Properties

Compound Name(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
PubChem CID47072962
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
SMILESCCCOc1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2
InChIInChI=1S/C15H14N2O3S/c1-2-5-19-12-3-4-14-13(7-12)15(18)10(8-20-14)6-11-9-21-17-16-11/h3-4,6-7,9H,2,5,8H2,1H3/b10-6-
InChIKeyDYSCHCUGDPZELP-POHAHGRESA-N
XLogP2.99
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The IUPAC name of (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one (CID 47072962) is (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one.
What is the SMILES notation for (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The canonical SMILES for (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one is CCCOc1ccc2c(c1)C(=O)/C(=C\c1csnn1)CO2.
What is the InChIKey of (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
The InChIKey is DYSCHCUGDPZELP-POHAHGRESA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-5-19-12-3-4-14-13(7-12)15(18)10(8-20-14)6-11-9-21-17-16-11/h3-4,6-7,9H,2,5,8H2,1H3/b10-6-.
What are the key properties of (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one?
(3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one has a molecular weight of 302.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-propoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one is sourced from PubChem (CID 47072962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).