1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine

C12H13N3S — CID 82022987

IUPAC1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine
SMILESCC(N)Cc1csc2nc3ccccc3n12
InChIInChI=1S/C12H13N3S/c1-8(13)6-9-7-16-12-14-10-4-2-3-5-11(10)15(9)12/h2-5,7-8H,6,13H2,1H3
InChIKeyIWHZDQCPPCPZAI-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.44
Rot. Bonds2

About 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine

1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine (PubChem CID 82022987) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine
PubChem CID82022987
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine
SMILESCC(N)Cc1csc2nc3ccccc3n12
InChIInChI=1S/C12H13N3S/c1-8(13)6-9-7-16-12-14-10-4-2-3-5-11(10)15(9)12/h2-5,7-8H,6,13H2,1H3
InChIKeyIWHZDQCPPCPZAI-UHFFFAOYSA-N
XLogP2.44
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
CID 21178978
3-[4-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)phenyl]propanoic acid
CID 54018589
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 56696528
ethane;4-methyl-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 145383764
1-carbazol-9-ylpropan-2-amine
CID 21430322
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 39148106
4-(3-carbazol-9-ylcarbazol-9-yl)-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546171

Frequently Asked Questions

What is the IUPAC name of 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine?
The IUPAC name of 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine (CID 82022987) is 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine?
The canonical SMILES for 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine is CC(N)Cc1csc2nc3ccccc3n12.
What is the InChIKey of 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine?
The InChIKey is IWHZDQCPPCPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8(13)6-9-7-16-12-14-10-4-2-3-5-11(10)15(9)12/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine?
1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 82022987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).