2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid

C17H16N2O2S — CID 71276820

IUPAC2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid
SMILESCc1nc2c(s1)CC(C)(C)c1c-2[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C17H16N2O2S/c1-8-18-14-12(22-8)7-17(2,3)13-10-6-9(16(20)21)4-5-11(10)19-15(13)14/h4-6,19H,7H2,1-3H3,(H,20,21)
InChIKeyAMAJJBLVWXNOHH-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.13
Rot. Bonds1

About 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid

2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid (PubChem CID 71276820) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid.

Molecular Properties

Compound Name2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid
PubChem CID71276820
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid
SMILESCc1nc2c(s1)CC(C)(C)c1c-2[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C17H16N2O2S/c1-8-18-14-12(22-8)7-17(2,3)13-10-6-9(16(20)21)4-5-11(10)19-15(13)14/h4-6,19H,7H2,1-3H3,(H,20,21)
InChIKeyAMAJJBLVWXNOHH-UHFFFAOYSA-N
XLogP4.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid?
The IUPAC name of 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid (CID 71276820) is 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid.
What is the SMILES notation for 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid?
The canonical SMILES for 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid is Cc1nc2c(s1)CC(C)(C)c1c-2[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid?
The InChIKey is AMAJJBLVWXNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-8-18-14-12(22-8)7-17(2,3)13-10-6-9(16(20)21)4-5-11(10)19-15(13)14/h4-6,19H,7H2,1-3H3,(H,20,21).
What are the key properties of 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid?
2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4,10-dihydro-[1,3]thiazolo[4,5-a]carbazole-7-carboxylic acid is sourced from PubChem (CID 71276820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).