5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 82549540

IUPAC5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C16H15ClN2S/c1-11-13(17)7-8-14-15(11)19-16(20-14)18-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyFQZXSKCNIJGKRG-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.91
Rot. Bonds4

About 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine

5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (PubChem CID 82549540) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
PubChem CID82549540
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(NCCc3ccccc3)nc12
InChIInChI=1S/C16H15ClN2S/c1-11-13(17)7-8-14-15(11)19-16(20-14)18-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyFQZXSKCNIJGKRG-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
4-ethyl-6-methoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548617
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
2-(4-benzylpiperazin-1-yl)-5-chloro-4-methyl-1,3-benzothiazole
CID 90601986
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
CID 35569941
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 46879453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine (CID 82549540) is 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is Cc1c(Cl)ccc2sc(NCCc3ccccc3)nc12.
What is the InChIKey of 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is FQZXSKCNIJGKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11-13(17)7-8-14-15(11)19-16(20-14)18-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine?
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).