2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid

C16H13NO2S — CID 83985780

IUPAC2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid
SMILESO=C(O)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C16H13NO2S/c18-15(19)8-9-7-12-14(20-9)6-5-11-10-3-1-2-4-13(10)17-16(11)12/h1-4,7,17H,5-6,8H2,(H,18,19)
InChIKeyFEIHZLMCPCQHFH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.62
Rot. Bonds2

About 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid

2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid (PubChem CID 83985780) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid
PubChem CID83985780
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid
SMILESO=C(O)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C16H13NO2S/c18-15(19)8-9-7-12-14(20-9)6-5-11-10-3-1-2-4-13(10)17-16(11)12/h1-4,7,17H,5-6,8H2,(H,18,19)
InChIKeyFEIHZLMCPCQHFH-UHFFFAOYSA-N
XLogP3.62
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
CID 83985773
methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate
CID 83985784
2-[(2E)-2-[3-(dimethylamino)propylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]acetic acid;hydrochloride
CID 67167676
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
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2,6-dihydro-1H-azepino[4,5-b]indole-3,5-dicarboxylic acid
CID 90862980
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
3-(carboxymethyl)-2-naphthalen-1-yl-1H-indole-5-carboxylic acid
CID 4683567
9H-carbazole;propanoic acid
CID 68841226
9H-carbazole;carbonic acid
CID 67577328
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906
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

Frequently Asked Questions

What is the IUPAC name of 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid?
The IUPAC name of 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid (CID 83985780) is 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid?
The canonical SMILES for 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid is O=C(O)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12.
What is the InChIKey of 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid?
The InChIKey is FEIHZLMCPCQHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-15(19)8-9-7-12-14(20-9)6-5-11-10-3-1-2-4-13(10)17-16(11)12/h1-4,7,17H,5-6,8H2,(H,18,19).
What are the key properties of 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid?
2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid has a molecular weight of 283.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid is sourced from PubChem (CID 83985780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).