7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C14H20N2S — CID 113303100

IUPAC7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCC(C)(C)C1CCc2nc3sccn3c2C1
InChIInChI=1S/C14H20N2S/c1-4-14(2,3)10-5-6-11-12(9-10)16-7-8-17-13(16)15-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXSXFHVCDLOGLEL-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.94
Rot. Bonds2

About 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 113303100) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID113303100
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCC(C)(C)C1CCc2nc3sccn3c2C1
InChIInChI=1S/C14H20N2S/c1-4-14(2,3)10-5-6-11-12(9-10)16-7-8-17-13(16)15-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXSXFHVCDLOGLEL-UHFFFAOYSA-N
XLogP3.94
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
CID 115910866
5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene
CID 115403241
8-tert-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303186
(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 7148249
7-(trifluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole
CID 113428319
6-cyclopropyl-5-ethylimidazo[2,1-b][1,3]thiazole
CID 130512598
6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 62541069
6-(2-methylbutan-2-yl)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 103278361
N-ethyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-amine
CID 62783866
(13S)-13-[4-(diethylamino)phenyl]-5-thia-2,7,10-triazatricyclo[6.5.0.02,6]trideca-1(8),3,6-trien-11-one
CID 95121544
[6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrocinnolin-3-yl]hydrazine
CID 62784054
7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole
CID 104573648

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 113303100) is 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is CCC(C)(C)C1CCc2nc3sccn3c2C1.
What is the InChIKey of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is XSXFHVCDLOGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-14(2,3)10-5-6-11-12(9-10)16-7-8-17-13(16)15-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 248.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 113303100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).