[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol

C11H12ClN3OS2 — CID 80693370

IUPAC[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Sc2nc(Cl)c(CO)s2)nc(C)c1C
InChIInChI=1S/C11H12ClN3OS2/c1-5-6(2)13-10(14-7(5)3)18-11-15-9(12)8(4-16)17-11/h16H,4H2,1-3H3
InChIKeyWREJMVRIHCXHEM-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.16
Rot. Bonds3

About [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol

[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80693370) has the molecular formula C11H12ClN3OS2 and a molecular weight of 301.82 g/mol. Its IUPAC name is [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80693370
Molecular FormulaC11H12ClN3OS2
Molecular Weight301.82 g/mol
Exact Mass301.01
IUPAC Name[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Sc2nc(Cl)c(CO)s2)nc(C)c1C
InChIInChI=1S/C11H12ClN3OS2/c1-5-6(2)13-10(14-7(5)3)18-11-15-9(12)8(4-16)17-11/h16H,4H2,1-3H3
InChIKeyWREJMVRIHCXHEM-UHFFFAOYSA-N
XLogP3.16
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80693370) is [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol is Cc1nc(Sc2nc(Cl)c(CO)s2)nc(C)c1C.
What is the InChIKey of [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is WREJMVRIHCXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS2/c1-5-6(2)13-10(14-7(5)3)18-11-15-9(12)8(4-16)17-11/h16H,4H2,1-3H3.
What are the key properties of [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 301.82 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).