1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C13H18N2S — CID 115403337

IUPAC1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CC(C(C)C)CC3
InChIInChI=1S/C13H18N2S/c1-8(2)10-4-5-11-12(6-10)15-9(3)7-16-13(15)14-11/h7-8,10H,4-6H2,1-3H3
InChIKeyYUHFBSHQXAVKJC-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.47
Rot. Bonds1

About 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 115403337) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID115403337
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CC(C(C)C)CC3
InChIInChI=1S/C13H18N2S/c1-8(2)10-4-5-11-12(6-10)15-9(3)7-16-13(15)14-11/h7-8,10H,4-6H2,1-3H3
InChIKeyYUHFBSHQXAVKJC-UHFFFAOYSA-N
XLogP3.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
CID 171136654
1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 83435632
(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81388364
N-cyclopropyl-3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82395564
3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 158533758
6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 143292511
methyl 4-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)butanoate
CID 80655195
2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 62696181
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339819
N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943486
7-(1-bromoethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111437
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 115403337) is 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is Cc1csc2nc3c(n12)CC(C(C)C)CC3.
What is the InChIKey of 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is YUHFBSHQXAVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-8(2)10-4-5-11-12(6-10)15-9(3)7-16-13(15)14-11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 234.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 115403337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).