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

C14H20N2OS — CID 82061834

IUPAC(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol
SMILESCC(C)(C)C1CCc2c(sc3nc(CO)cn23)C1
InChIInChI=1S/C14H20N2OS/c1-14(2,3)9-4-5-11-12(6-9)18-13-15-10(8-17)7-16(11)13/h7,9,17H,4-6,8H2,1-3H3
InChIKeyKUSHHHHPWZFGNA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds1

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

(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol (PubChem CID 82061834) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol.

Molecular Properties

Compound Name(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol
PubChem CID82061834
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol
SMILESCC(C)(C)C1CCc2c(sc3nc(CO)cn23)C1
InChIInChI=1S/C14H20N2OS/c1-14(2,3)9-4-5-11-12(6-9)18-13-15-10(8-17)7-16(11)13/h7,9,17H,4-6,8H2,1-3H3
InChIKeyKUSHHHHPWZFGNA-UHFFFAOYSA-N
XLogP3.04
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 7025090
6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118970949
N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide
CID 139417724
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-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036144
(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CID 124512009
6-tert-butyl-2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 47003540
6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane
CID 163248763
(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2118131
(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
13-tert-butyl-N,N-bis(2-hydroxyethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
CID 4973233

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol?
The IUPAC name of (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol (CID 82061834) is (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol.
What is the SMILES notation for (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol?
The canonical SMILES for (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol is CC(C)(C)C1CCc2c(sc3nc(CO)cn23)C1.
What is the InChIKey of (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol?
The InChIKey is KUSHHHHPWZFGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,3)9-4-5-11-12(6-9)18-13-15-10(8-17)7-16(11)13/h7,9,17H,4-6,8H2,1-3H3.
What are the key properties of (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol?
(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol has a molecular weight of 264.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol is sourced from PubChem (CID 82061834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).