5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine

C12H15ClN2S — CID 43674780

IUPAC5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
SMILESCC(C)CCNc1c(Cl)ccc2scnc12
InChIInChI=1S/C12H15ClN2S/c1-8(2)5-6-14-11-9(13)3-4-10-12(11)15-7-16-10/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUKSYAEITDZSPFD-UHFFFAOYSA-N
MW254.79 g/mol
LogP4.41
Rot. Bonds4

About 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine

5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine (PubChem CID 43674780) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
PubChem CID43674780
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
SMILESCC(C)CCNc1c(Cl)ccc2scnc12
InChIInChI=1S/C12H15ClN2S/c1-8(2)5-6-14-11-9(13)3-4-10-12(11)15-7-16-10/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUKSYAEITDZSPFD-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-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

5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748
5-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 43674881
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394
5-chloro-N-[(2,3-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674721
N-[(2-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43674813
5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-1,3-benzothiazol-4-amine
CID 63428032
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 63120597
N-[(4-bromo-3-methylphenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 66473596
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 62655447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine (CID 43674780) is 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine is CC(C)CCNc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine?
The InChIKey is UKSYAEITDZSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-8(2)5-6-14-11-9(13)3-4-10-12(11)15-7-16-10/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine?
5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine has a molecular weight of 254.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).