N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide

C18H27N3O2S — CID 139417724

IUPACN-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide
SMILESCCOCc1nc2sc3c(n2c1NC(C)=O)CCC(C(C)(C)C)C3
InChIInChI=1S/C18H27N3O2S/c1-6-23-10-13-16(19-11(2)22)21-14-8-7-12(18(3,4)5)9-15(14)24-17(21)20-13/h12H,6-10H2,1-5H3,(H,19,22)
InChIKeyZKHVILGQGUFTRH-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.04
Rot. Bonds4

About N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide

N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide (PubChem CID 139417724) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide
PubChem CID139417724
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide
SMILESCCOCc1nc2sc3c(n2c1NC(C)=O)CCC(C(C)(C)C)C3
InChIInChI=1S/C18H27N3O2S/c1-6-23-10-13-16(19-11(2)22)21-14-8-7-12(18(3,4)5)9-15(14)24-17(21)20-13/h12H,6-10H2,1-5H3,(H,19,22)
InChIKeyZKHVILGQGUFTRH-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol
CID 82061834
6-tert-butyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036030
6-tert-butyl-1-[(2-oxopiperidin-1-yl)methyl]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971119
6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118970949
6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036144
ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 839012
ethyl 6-tert-butyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2898618
tert-butyl N-[2-[2-[(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84561067
(2R)-2-[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]butanoic acid
CID 1404426
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 4111003
(6S)-2-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 7025090
2-(4-bromophenoxy)-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280047

Frequently Asked Questions

What is the IUPAC name of N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide?
The IUPAC name of N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide (CID 139417724) is N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide.
What is the SMILES notation for N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide?
The canonical SMILES for N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide is CCOCc1nc2sc3c(n2c1NC(C)=O)CCC(C(C)(C)C)C3.
What is the InChIKey of N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide?
The InChIKey is ZKHVILGQGUFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-6-23-10-13-16(19-11(2)22)21-14-8-7-12(18(3,4)5)9-15(14)24-17(21)20-13/h12H,6-10H2,1-5H3,(H,19,22).
What are the key properties of N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide?
N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide is sourced from PubChem (CID 139417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).