(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C13H12N2S2 — CID 56959409

IUPAC(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2sc([C@@H]3CN4CCSC4=N3)cc2c1
InChIInChI=1S/C13H12N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-4,7,10H,5-6,8H2/t10-/m0/s1
InChIKeyKTWDBZSFGOVAJT-JTQLQIEISA-N
MW260.39 g/mol
LogP3.36
Rot. Bonds1

About (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 56959409) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID56959409
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2sc([C@@H]3CN4CCSC4=N3)cc2c1
InChIInChI=1S/C13H12N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-4,7,10H,5-6,8H2/t10-/m0/s1
InChIKeyKTWDBZSFGOVAJT-JTQLQIEISA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 45257245
2-(2,2-difluorocyclopropyl)-1-benzothiophene
CID 178074860
1-(1-benzothiophen-2-yl)aziridine
CID 14339463
2-(2-fluorocyclopropyl)-1-benzothiophene
CID 162416065
3-(1-benzothiophen-2-yl)oxetane
CID 119082125
3-(1-benzothiophen-2-yl)cyclobutan-1-one
CID 114911359
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
3-(1-benzothiophen-2-yl)cyclopentan-1-one
CID 102578531
bis[1-(1-benzothiophen-2-yl)pyrrolidin-3-yl]methanone
CID 174944991
(2S)-3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-benzothiophen-2-yl)-2H-1,3-benzoxazole
CID 141153446
4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68995320
3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 56959409) is (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is c1ccc2sc([C@@H]3CN4CCSC4=N3)cc2c1.
What is the InChIKey of (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is KTWDBZSFGOVAJT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12N2S2/c1-2-4-11-9(3-1)7-12(17-11)10-8-15-5-6-16-13(15)14-10/h1-4,7,10H,5-6,8H2/t10-/m0/s1.
What are the key properties of (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 260.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1-benzothiophen-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56959409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).