ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole

C18H28N2S — CID 167636104

IUPACethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
SMILESCC.CC(C)C.CC(C)n1c2ccccc2c2ncsc21
InChIInChI=1S/C12H12N2S.C4H10.C2H6/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3
InChIKeyOMNUYFSVDGKHGH-UHFFFAOYSA-N
MW304.50 g/mol
LogP6.52
Rot. Bonds1

About ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole

ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole (PubChem CID 167636104) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Nameethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
PubChem CID167636104
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Nameethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
SMILESCC.CC(C)C.CC(C)n1c2ccccc2c2ncsc21
InChIInChI=1S/C12H12N2S.C4H10.C2H6/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3
InChIKeyOMNUYFSVDGKHGH-UHFFFAOYSA-N
XLogP6.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
CID 153310438
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
4-amino-1-propan-2-ylquinazolin-2-one
CID 156889369
4-propan-2-ylthieno[3,2-b]indol-3-amine
CID 147058333
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
CID 125483876
3-ethylsulfanyl-5-propan-2-yl-[1,2,4]triazino[5,6-b]indole
CID 171980881
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
11-propan-2-ylbenzo[a]carbazole
CID 118058944
ethane;bis(9-methylcarbazole)
CID 159710949
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole (CID 167636104) is ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole is CC.CC(C)C.CC(C)n1c2ccccc2c2ncsc21.
What is the InChIKey of ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is OMNUYFSVDGKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S.C4H10.C2H6/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 304.50 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;4-propan-2-yl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 167636104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).