(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

C11H9Cl2NOS — CID 22101846

IUPAC(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)7-2-3-8(12)9(13)4-7/h2-5,10,15H,1H3
InChIKeyOIBNVRUCFIMVEH-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.84
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 22101846) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID22101846
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)7-2-3-8(12)9(13)4-7/h2-5,10,15H,1H3
InChIKeyOIBNVRUCFIMVEH-UHFFFAOYSA-N
XLogP3.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (CID 22101846) is (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is OIBNVRUCFIMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)7-2-3-8(12)9(13)4-7/h2-5,10,15H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 274.17 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 22101846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).