6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane

C13H18ClNOS — CID 178049033

IUPAC6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane
SMILESCC.CCCOc1cc(Cl)cc2sc(C)nc12
InChIInChI=1S/C11H12ClNOS.C2H6/c1-3-4-14-9-5-8(12)6-10-11(9)13-7(2)15-10;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNPNWPZCNVRRFQH-UHFFFAOYSA-N
MW271.81 g/mol
LogP5.07
Rot. Bonds3

About 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane

6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane (PubChem CID 178049033) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane
PubChem CID178049033
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane
SMILESCC.CCCOc1cc(Cl)cc2sc(C)nc12
InChIInChI=1S/C11H12ClNOS.C2H6/c1-3-4-14-9-5-8(12)6-10-11(9)13-7(2)15-10;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNPNWPZCNVRRFQH-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.81
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
CID 63686878
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451845
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
CID 24702680
5-ethoxy-2,4-dimethyl-1,3-benzothiazole
CID 91405697
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049247
2,3,6,7-tetrapropoxyanthracene
CID 102343273
2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid
CID 87496679
5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
CID 66233884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane?
The IUPAC name of 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane (CID 178049033) is 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane?
The canonical SMILES for 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane is CC.CCCOc1cc(Cl)cc2sc(C)nc12.
What is the InChIKey of 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane?
The InChIKey is NPNWPZCNVRRFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS.C2H6/c1-3-4-14-9-5-8(12)6-10-11(9)13-7(2)15-10;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane?
6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane has a molecular weight of 271.81 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).