4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine

C15H22N2OS — CID 82548668

IUPAC4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(C)cc(OC(C)C)c(C)c2s1
InChIInChI=1S/C15H22N2OS/c1-6-7-16-15-17-13-10(4)8-12(18-9(2)3)11(5)14(13)19-15/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyWVKATZVBIJIQKF-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.52
Rot. Bonds5

About 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine

4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82548668) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82548668
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(C)cc(OC(C)C)c(C)c2s1
InChIInChI=1S/C15H22N2OS/c1-6-7-16-15-17-13-10(4)8-12(18-9(2)3)11(5)14(13)19-15/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyWVKATZVBIJIQKF-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548748
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548720
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 82548734
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
CID 45120026
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine (CID 82548668) is 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(C)cc(OC(C)C)c(C)c2s1.
What is the InChIKey of 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is WVKATZVBIJIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-6-7-16-15-17-13-10(4)8-12(18-9(2)3)11(5)14(13)19-15/h8-9H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 278.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).