5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine

C14H19ClN2OS — CID 43674686

IUPAC5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine
SMILESCOC(C)(C)CC(C)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C14H19ClN2OS/c1-9(7-14(2,3)18-4)17-12-10(15)5-6-11-13(12)16-8-19-11/h5-6,8-9,17H,7H2,1-4H3
InChIKeyIFVOKPILZHZQNR-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.57
Rot. Bonds5

About 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine

5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine (PubChem CID 43674686) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine
PubChem CID43674686
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine
SMILESCOC(C)(C)CC(C)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C14H19ClN2OS/c1-9(7-14(2,3)18-4)17-12-10(15)5-6-11-13(12)16-8-19-11/h5-6,8-9,17H,7H2,1-4H3
InChIKeyIFVOKPILZHZQNR-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine (CID 43674686) is 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine is COC(C)(C)CC(C)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine?
The InChIKey is IFVOKPILZHZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-9(7-14(2,3)18-4)17-12-10(15)5-6-11-13(12)16-8-19-11/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine?
5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine has a molecular weight of 298.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxy-4-methylpentan-2-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).