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

C17H26N2OS — CID 82548748

IUPAC4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(C)cc(OC(C)C)c(C(C)C)c2s1
InChIInChI=1S/C17H26N2OS/c1-7-8-18-17-19-15-12(6)9-13(20-11(4)5)14(10(2)3)16(15)21-17/h9-11H,7-8H2,1-6H3,(H,18,19)
InChIKeyAPDXKPDYCMAKAJ-UHFFFAOYSA-N
MW306.48 g/mol
LogP5.34
Rot. Bonds6

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

4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82548748) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82548748
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(C)cc(OC(C)C)c(C(C)C)c2s1
InChIInChI=1S/C17H26N2OS/c1-7-8-18-17-19-15-12(6)9-13(20-11(4)5)14(10(2)3)16(15)21-17/h9-11H,7-8H2,1-6H3,(H,18,19)
InChIKeyAPDXKPDYCMAKAJ-UHFFFAOYSA-N
XLogP5.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548720
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 82548734
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-propan-2-yl-N-propyl-1,3-benzothiazol-2-amine
CID 82549350
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
CID 45120026
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine (CID 82548748) is 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(C)cc(OC(C)C)c(C(C)C)c2s1.
What is the InChIKey of 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is APDXKPDYCMAKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-7-8-18-17-19-15-12(6)9-13(20-11(4)5)14(10(2)3)16(15)21-17/h9-11H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine?
4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 306.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).