3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol

C11H15N3OS — CID 43450605

IUPAC3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol
SMILESCc1nc2cc(NCCCO)c(N)cc2s1
InChIInChI=1S/C11H15N3OS/c1-7-14-10-6-9(13-3-2-4-15)8(12)5-11(10)16-7/h5-6,13,15H,2-4,12H2,1H3
InChIKeyLHLRWGRUSHCKGP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.98
Rot. Bonds4

About 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol

3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol (PubChem CID 43450605) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol
PubChem CID43450605
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol
SMILESCc1nc2cc(NCCCO)c(N)cc2s1
InChIInChI=1S/C11H15N3OS/c1-7-14-10-6-9(13-3-2-4-15)8(12)5-11(10)16-7/h5-6,13,15H,2-4,12H2,1H3
InChIKeyLHLRWGRUSHCKGP-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol 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-(3-Hydroxy-propyl)-3-(2-methyl-benzothiazol-6-yl)-urea
CID 3154695
Cgi 16343
CID 128490
2-[(1,3-Benzothiazol-2-ylmethyl)amino]ethanol
CID 15619588
6-((3-Hydroxypropyl)amino)benzo[d]thiazole-2-carbonitrile
CID 59229149
2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 4313659
2-Methyl-1,3-benzothiazole-4,6-diamine
CID 71732425
N-(4-acetamido-2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 71732426
N-[4-(ethanethioylamino)-2-methyl-1,3-benzothiazol-6-yl]ethanethioamide
CID 71732427
2-(Benzothiazol-2-ylethylamino)ethanol
CID 129825467
2-methyl-5-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-5,6-diamine
CID 43450467
5-N-[(4-fluorophenyl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450472
5-N-[(2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450476

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol (CID 43450605) is 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol is Cc1nc2cc(NCCCO)c(N)cc2s1.
What is the InChIKey of 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol?
The InChIKey is LHLRWGRUSHCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-14-10-6-9(13-3-2-4-15)8(12)5-11(10)16-7/h5-6,13,15H,2-4,12H2,1H3.
What are the key properties of 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol?
3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 43450605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).