N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

C11H13ClN2S — CID 60837389

IUPACN-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7,13H,6H2,1-2H3
InChIKeyHISJBVDBOAUISA-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.45
Rot. Bonds3

About N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (PubChem CID 60837389) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
PubChem CID60837389
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7,13H,6H2,1-2H3
InChIKeyHISJBVDBOAUISA-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]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

N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 79528112
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79257849
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
N-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 84634721
1-tert-butyl-3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylguanidine
CID 119116065
N-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-amine
CID 119082887
N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55130036
2-butan-2-yl-5-chloro-1,3-benzothiazole
CID 58291254
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79528460
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 164753506

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (CID 60837389) is N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The InChIKey is HISJBVDBOAUISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 60837389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).