propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole

C12H14N2OS — CID 90811856

IUPACpropan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCO.c1ccc2c(c1)nc1sccn12
InChIInChI=1S/C9H6N2S.C3H8O/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9;1-2-3-4/h1-6H;4H,2-3H2,1H3
InChIKeyNNXZZCJYKFFAEU-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.94
Rot. Bonds1

About propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole

propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 90811856) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Namepropan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID90811856
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Namepropan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCO.c1ccc2c(c1)nc1sccn12
InChIInChI=1S/C9H6N2S.C3H8O/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9;1-2-3-4/h1-6H;4H,2-3H2,1H3
InChIKeyNNXZZCJYKFFAEU-UHFFFAOYSA-N
XLogP2.94
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole
CID 91314280
8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 57338139
diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane
CID 126758557
4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene
CID 22153560
[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde
CID 21019575
2-butyl-[1,2,4]thiadiazolo[4,5-a]benzimidazol-1-one
CID 13034031
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135687393
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
N-(2-hydroxyethyl)-N-propyl-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 60656085
N-[(6-indazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 62140386

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole (CID 90811856) is propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole is CCCO.c1ccc2c(c1)nc1sccn12.
What is the InChIKey of propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is NNXZZCJYKFFAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S.C3H8O/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9;1-2-3-4/h1-6H;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole?
propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 234.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 90811856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).