5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine

C13H17ClN2S — CID 113471870

IUPAC5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCCC(C)(C)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C13H17ClN2S/c1-4-7-13(2,3)16-12-15-10-8-9(14)5-6-11(10)17-12/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyVMNKUSXTGDGYNS-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.94
Rot. Bonds4

About 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine

5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 113471870) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID113471870
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCCC(C)(C)Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C13H17ClN2S/c1-4-7-13(2,3)16-12-15-10-8-9(14)5-6-11(10)17-12/h5-6,8H,4,7H2,1-3H3,(H,15,16)
InChIKeyVMNKUSXTGDGYNS-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527
5-chloro-N-octan-4-yl-1,3-benzothiazol-2-amine
CID 106027403
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475
3-[2-[(5-chloro-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83114642
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine (CID 113471870) is 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine is CCCC(C)(C)Nc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is VMNKUSXTGDGYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-4-7-13(2,3)16-12-15-10-8-9(14)5-6-11(10)17-12/h5-6,8H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113471870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).