ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one

C22H35N3OS — CID 168996212

IUPACethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one
SMILESCC.CC.CC(C)c1ccc2[nH]c(=O)sc2c1.Cc1cn2c(n1)CCCC2
InChIInChI=1S/C10H11NOS.C8H12N2.2C2H6/c1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-2/h3-6H,1-2H3,(H,11,12);6H,2-5H2,1H3;2*1-2H3
InChIKeyAOUPOIUUMBKTBG-UHFFFAOYSA-N
MW389.61 g/mol
LogP6.29
Rot. Bonds1

About ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one

ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one (PubChem CID 168996212) has the molecular formula C22H35N3OS and a molecular weight of 389.61 g/mol. Its IUPAC name is ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Nameethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one
PubChem CID168996212
Molecular FormulaC22H35N3OS
Molecular Weight389.61 g/mol
Exact Mass389.25
IUPAC Nameethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one
SMILESCC.CC.CC(C)c1ccc2[nH]c(=O)sc2c1.Cc1cn2c(n1)CCCC2
InChIInChI=1S/C10H11NOS.C8H12N2.2C2H6/c1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-2/h3-6H,1-2H3,(H,11,12);6H,2-5H2,1H3;2*1-2H3
InChIKeyAOUPOIUUMBKTBG-UHFFFAOYSA-N
XLogP6.29
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5,6,7,8,9,10,11,12-octahydroimidazo[1,2-a]azecine
CID 123797625
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 58720010
N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020
7-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;ethane
CID 154685814
ethyl 2,3-dihydroxy-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoate
CID 171866331
6-(3-chloro-1,2-dihydroxypropyl)-3H-1,3-benzothiazol-2-one
CID 171862263
ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
CID 145188413
5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 154736173
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiophene-3-sulfonamide
CID 128971516
6-[1-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]ethyl]-3H-1,3-benzothiazol-2-one
CID 118548655
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one?
The IUPAC name of ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one (CID 168996212) is ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one?
The canonical SMILES for ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one is CC.CC.CC(C)c1ccc2[nH]c(=O)sc2c1.Cc1cn2c(n1)CCCC2.
What is the InChIKey of ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one?
The InChIKey is AOUPOIUUMBKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.C8H12N2.2C2H6/c1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7-6-10-5-3-2-4-8(10)9-7;2*1-2/h3-6H,1-2H3,(H,11,12);6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one?
ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one has a molecular weight of 389.61 g/mol, XLogP of 6.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 168996212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).