2,5-dimethyl-10H-thieno[2,3-a]carbazole

C16H13NS — CID 86045135

IUPAC2,5-dimethyl-10H-thieno[2,3-a]carbazole
SMILESCc1cc2cc(C)c3c4ccccc4[nH]c3c2s1
InChIInChI=1S/C16H13NS/c1-9-7-11-8-10(2)18-16(11)15-14(9)12-5-3-4-6-13(12)17-15/h3-8,17H,1-2H3
InChIKeyCPSIHKUVMAWHGA-UHFFFAOYSA-N
MW251.35 g/mol
LogP5.15
Rot. Bonds

About 2,5-dimethyl-10H-thieno[2,3-a]carbazole

2,5-dimethyl-10H-thieno[2,3-a]carbazole (PubChem CID 86045135) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,5-dimethyl-10H-thieno[2,3-a]carbazole.

Molecular Properties

Compound Name2,5-dimethyl-10H-thieno[2,3-a]carbazole
PubChem CID86045135
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2,5-dimethyl-10H-thieno[2,3-a]carbazole
SMILESCc1cc2cc(C)c3c4ccccc4[nH]c3c2s1
InChIInChI=1S/C16H13NS/c1-9-7-11-8-10(2)18-16(11)15-14(9)12-5-3-4-6-13(12)17-15/h3-8,17H,1-2H3
InChIKeyCPSIHKUVMAWHGA-UHFFFAOYSA-N
XLogP5.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-11H-benzo[a]carbazol-3-ol
CID 11311198
2,3,5-trimethyl-6H-thieno[3,2-c]carbazole
CID 11448489
6-methyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 137421875
2-methyl-9H-carbazole-1,4-diamine
CID 68823015
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;ethane;methanethiol
CID 145055631
5-methyl-11H-benzo[a]carbazole
CID 6454977
13,29,45-trithia-10,26,42-triazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(48),2,4,6,8,11,14,16,18,20,22,24,27,30,32,34,36,38,40,43,46-henicosaene
CID 58420654
2-methyl-4-(2-methylphenyl)-9H-pyrido[2,3-b]indole
CID 135060330
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
2,3-dimethyl-10H-thieno[2,3-a]carbazole
CID 144848398

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-10H-thieno[2,3-a]carbazole?
The IUPAC name of 2,5-dimethyl-10H-thieno[2,3-a]carbazole (CID 86045135) is 2,5-dimethyl-10H-thieno[2,3-a]carbazole.
What is the SMILES notation for 2,5-dimethyl-10H-thieno[2,3-a]carbazole?
The canonical SMILES for 2,5-dimethyl-10H-thieno[2,3-a]carbazole is Cc1cc2cc(C)c3c4ccccc4[nH]c3c2s1.
What is the InChIKey of 2,5-dimethyl-10H-thieno[2,3-a]carbazole?
The InChIKey is CPSIHKUVMAWHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-9-7-11-8-10(2)18-16(11)15-14(9)12-5-3-4-6-13(12)17-15/h3-8,17H,1-2H3.
What are the key properties of 2,5-dimethyl-10H-thieno[2,3-a]carbazole?
2,5-dimethyl-10H-thieno[2,3-a]carbazole has a molecular weight of 251.35 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-10H-thieno[2,3-a]carbazole is sourced from PubChem (CID 86045135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).