(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

C11H9Cl2NOS — CID 22101852

IUPAC(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)8-3-2-7(12)4-9(8)13/h2-5,10,15H,1H3
InChIKeyKUHXNVTZOGNIDN-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.84
Rot. Bonds2

About (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 22101852) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID22101852
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)8-3-2-7(12)4-9(8)13/h2-5,10,15H,1H3
InChIKeyKUHXNVTZOGNIDN-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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Related Compounds

(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279983
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(4-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
CID 57098054

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (CID 22101852) is (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is KUHXNVTZOGNIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-6-11(16-5-14-6)10(15)8-3-2-7(12)4-9(8)13/h2-5,10,15H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
(2,4-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 (2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 22101852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).