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

C9H8ClN3OS2 — CID 80693034

IUPAC[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCc1ccnc(Sc2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C9H8ClN3OS2/c1-5-2-3-11-8(12-5)16-9-13-7(10)6(4-14)15-9/h2-3,14H,4H2,1H3
InChIKeyQODIDNCEEVMJGZ-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.54
Rot. Bonds3

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

[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80693034) has the molecular formula C9H8ClN3OS2 and a molecular weight of 273.77 g/mol. Its IUPAC name is [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80693034
Molecular FormulaC9H8ClN3OS2
Molecular Weight273.77 g/mol
Exact Mass272.98
IUPAC Name[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCc1ccnc(Sc2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C9H8ClN3OS2/c1-5-2-3-11-8(12-5)16-9-13-7(10)6(4-14)15-9/h2-3,14H,4H2,1H3
InChIKeyQODIDNCEEVMJGZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.54
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-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80693034) is [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol is Cc1ccnc(Sc2nc(Cl)c(CO)s2)n1.
What is the InChIKey of [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QODIDNCEEVMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS2/c1-5-2-3-11-8(12-5)16-9-13-7(10)6(4-14)15-9/h2-3,14H,4H2,1H3.
What are the key properties of [4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 273.77 g/mol, XLogP of 2.54, 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-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).