4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol

C15H16N2OS — CID 45120026

IUPAC4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
SMILESCCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyPSQFOBHZKKNWCD-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.29
Rot. Bonds3

About 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol

4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol (PubChem CID 45120026) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol.

Molecular Properties

Compound Name4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
PubChem CID45120026
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
SMILESCCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyPSQFOBHZKKNWCD-UHFFFAOYSA-N
XLogP4.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol
CID 22220811
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
2-(butylamino)-1,4-dimethylbenzo[e][1,3]benzothiazol-1-ium-5-ol
CID 12761735
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700370
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The IUPAC name of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol (CID 45120026) is 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol.
What is the SMILES notation for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The canonical SMILES for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol is CCCNc1nc2c(s1)c(C)c(O)c1ccccc12.
What is the InChIKey of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The InChIKey is PSQFOBHZKKNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol has a molecular weight of 272.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol is sourced from PubChem (CID 45120026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).