4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride

C16H12ClNOS — CID 139886189

IUPAC4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(-c2nc3c(s2)Cc2ccccc2-3)cc1
InChIInChI=1S/C16H11NOS.ClH/c18-12-7-5-10(6-8-12)16-17-15-13-4-2-1-3-11(13)9-14(15)19-16;/h1-8,18H,9H2;1H
InChIKeyODHHHRLGFWLNIH-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.51
Rot. Bonds1

About 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride

4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride (PubChem CID 139886189) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride
PubChem CID139886189
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(-c2nc3c(s2)Cc2ccccc2-3)cc1
InChIInChI=1S/C16H11NOS.ClH/c18-12-7-5-10(6-8-12)16-17-15-13-4-2-1-3-11(13)9-14(15)19-16;/h1-8,18H,9H2;1H
InChIKeyODHHHRLGFWLNIH-UHFFFAOYSA-N
XLogP4.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride?
The IUPAC name of 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride (CID 139886189) is 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride?
The canonical SMILES for 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride is Cl.Oc1ccc(-c2nc3c(s2)Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride?
The InChIKey is ODHHHRLGFWLNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS.ClH/c18-12-7-5-10(6-8-12)16-17-15-13-4-2-1-3-11(13)9-14(15)19-16;/h1-8,18H,9H2;1H.
What are the key properties of 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride?
4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol;hydrochloride is sourced from PubChem (CID 139886189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).