1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol

C10H11ClN4OS — CID 123792818

IUPAC1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(Cl)cc(Nc2ncc(C(C)O)s2)n1
InChIInChI=1S/C10H11ClN4OS/c1-5(16)7-4-12-10(17-7)15-9-3-8(11)13-6(2)14-9/h3-5,16H,1-2H3,(H,12,13,14,15)
InChIKeyYFINUZSYXZRSLQ-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 123792818) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID123792818
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(Cl)cc(Nc2ncc(C(C)O)s2)n1
InChIInChI=1S/C10H11ClN4OS/c1-5(16)7-4-12-10(17-7)15-9-3-8(11)13-6(2)14-9/h3-5,16H,1-2H3,(H,12,13,14,15)
InChIKeyYFINUZSYXZRSLQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 123792818) is 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(Cl)cc(Nc2ncc(C(C)O)s2)n1.
What is the InChIKey of 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is YFINUZSYXZRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-5(16)7-4-12-10(17-7)15-9-3-8(11)13-6(2)14-9/h3-5,16H,1-2H3,(H,12,13,14,15).
What are the key properties of 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 270.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 123792818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).