7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole

C25H23NO3S — CID 162112967

IUPAC7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole
SMILESCOCC(C)c1nccs1.O=C(O)c1cc2ccccc2c2c1Cc1ccccc1-2
InChIInChI=1S/C18H12O2.C7H11NOS/c19-18(20)16-10-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-15(16)17;1-6(5-9-2)7-8-3-4-10-7/h1-8,10H,9H2,(H,19,20);3-4,6H,5H2,1-2H3
InChIKeyZGJXWNGCZYQHPB-UHFFFAOYSA-N
MW417.53 g/mol
LogP6.00
Rot. Bonds4

About 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole

7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole (PubChem CID 162112967) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole
PubChem CID162112967
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole
SMILESCOCC(C)c1nccs1.O=C(O)c1cc2ccccc2c2c1Cc1ccccc1-2
InChIInChI=1S/C18H12O2.C7H11NOS/c19-18(20)16-10-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-15(16)17;1-6(5-9-2)7-8-3-4-10-7/h1-8,10H,9H2,(H,19,20);3-4,6H,5H2,1-2H3
InChIKeyZGJXWNGCZYQHPB-UHFFFAOYSA-N
XLogP6.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole?
The IUPAC name of 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole (CID 162112967) is 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole?
The canonical SMILES for 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole is COCC(C)c1nccs1.O=C(O)c1cc2ccccc2c2c1Cc1ccccc1-2.
What is the InChIKey of 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole?
The InChIKey is ZGJXWNGCZYQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2.C7H11NOS/c19-18(20)16-10-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-15(16)17;1-6(5-9-2)7-8-3-4-10-7/h1-8,10H,9H2,(H,19,20);3-4,6H,5H2,1-2H3.
What are the key properties of 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole?
7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole has a molecular weight of 417.53 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[c]fluorene-6-carboxylic acid;2-(1-methoxypropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 162112967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).