(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

C13H16N2S — CID 134857510

IUPAC(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)[C@H]1CN2C(=N1)Sc1ccccc12
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyUAPPJNKVYZLCEP-LLVKDONJSA-N
MW232.35 g/mol
LogP3.38
Rot. Bonds

About (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 134857510) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID134857510
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESCC(C)(C)[C@H]1CN2C(=N1)Sc1ccccc12
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyUAPPJNKVYZLCEP-LLVKDONJSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
(2S)-2-Phenyl-2,3-dihydroimidazo(2,1-b)(1,3)benzothiazole
CID 17747785
N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
CID 838370
N~1~,N~1~-dimethyl-N~4~-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzene-1,4-diamine
CID 838386
2-(Diethylamino)-N-(3-methyl-2-benzothiazolinylidene)acetamide hydrochloride
CID 3053684
(E)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2104911
2-(2-imino-1,3-benzothiazol-3-yl)-N,N-dimethylethanamine
CID 44328278
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
CID 11608069
2-Phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole
CID 12892101
(E)-N-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2104856
(Z)-N-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)acetam
CID 4168032
(+)-Benzotetramisole
CID 11557884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (CID 134857510) is (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is CC(C)(C)[C@H]1CN2C(=N1)Sc1ccccc12.
What is the InChIKey of (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is UAPPJNKVYZLCEP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)11-8-15-9-6-4-5-7-10(9)16-12(15)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
(2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 232.35 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 134857510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).