5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid

C15H11NO2S — CID 83985773

IUPAC5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C15H11NO2S/c17-15(18)13-7-10-12(19-13)6-5-9-8-3-1-2-4-11(8)16-14(9)10/h1-4,7,16H,5-6H2,(H,17,18)
InChIKeyGHDHABYOSJJKSF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.69
Rot. Bonds1

About 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid

5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid (PubChem CID 83985773) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
PubChem CID83985773
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C15H11NO2S/c17-15(18)13-7-10-12(19-13)6-5-9-8-3-1-2-4-11(8)16-14(9)10/h1-4,7,16H,5-6H2,(H,17,18)
InChIKeyGHDHABYOSJJKSF-UHFFFAOYSA-N
XLogP3.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid
CID 83985780
methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate
CID 83985784
benzoic acid;9H-carbazole
CID 162147282
2,6-dihydro-1H-azepino[4,5-b]indole-3,5-dicarboxylic acid
CID 90862980
3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 135242913
11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2,13-dicarboxylic acid
CID 73198810
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 18281127
9H-carbazole;carbonic acid
CID 67577328
2,5,27-triazaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1,3(15),4(12),6,8,10,16,20(28),21,23,25-undecaene
CID 14318406
13-methoxycarbonyl-11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2-carboxylic acid
CID 74052599
2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 18715259

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid?
The IUPAC name of 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid (CID 83985773) is 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid.
What is the SMILES notation for 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid?
The canonical SMILES for 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid is O=C(O)c1cc2c(s1)CCc1c-2[nH]c2ccccc12.
What is the InChIKey of 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid?
The InChIKey is GHDHABYOSJJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-15(18)13-7-10-12(19-13)6-5-9-8-3-1-2-4-11(8)16-14(9)10/h1-4,7,16H,5-6H2,(H,17,18).
What are the key properties of 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid?
5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid is sourced from PubChem (CID 83985773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).