2-propyl-1,3-benzothiazol-4-ol

C10H11NOS — CID 82190216

IUPAC2-propyl-1,3-benzothiazol-4-ol
SMILESCCCc1nc2c(O)cccc2s1
InChIInChI=1S/C10H11NOS/c1-2-4-9-11-10-7(12)5-3-6-8(10)13-9/h3,5-6,12H,2,4H2,1H3
InChIKeyYXCQDJBKXWQSME-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.95
Rot. Bonds2

About 2-propyl-1,3-benzothiazol-4-ol

2-propyl-1,3-benzothiazol-4-ol (PubChem CID 82190216) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-propyl-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-propyl-1,3-benzothiazol-4-ol
PubChem CID82190216
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-propyl-1,3-benzothiazol-4-ol
SMILESCCCc1nc2c(O)cccc2s1
InChIInChI=1S/C10H11NOS/c1-2-4-9-11-10-7(12)5-3-6-8(10)13-9/h3,5-6,12H,2,4H2,1H3
InChIKeyYXCQDJBKXWQSME-UHFFFAOYSA-N
XLogP2.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
CID 174906867
CID 174906867
2-bromo-1,3-benzothiazol-4-ol
CID 73012532
2-pentyl-1,3-benzothiazol-4-amine
CID 69228766
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79146362
2,4-didecyl-1,3-benzothiazole;thiohydroxylamine
CID 175215426
2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190228
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-benzothiazol-4-ol?
The IUPAC name of 2-propyl-1,3-benzothiazol-4-ol (CID 82190216) is 2-propyl-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-propyl-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-propyl-1,3-benzothiazol-4-ol is CCCc1nc2c(O)cccc2s1.
What is the InChIKey of 2-propyl-1,3-benzothiazol-4-ol?
The InChIKey is YXCQDJBKXWQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-4-9-11-10-7(12)5-3-6-8(10)13-9/h3,5-6,12H,2,4H2,1H3.
What are the key properties of 2-propyl-1,3-benzothiazol-4-ol?
2-propyl-1,3-benzothiazol-4-ol has a molecular weight of 193.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-benzothiazol-4-ol is sourced from PubChem (CID 82190216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).