5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole

C10H10ClN3OS — CID 62338122

IUPAC5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3
InChIKeyDJMQGHGQWCLVLY-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.52
Rot. Bonds4

About 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole

5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (PubChem CID 62338122) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
PubChem CID62338122
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3
InChIKeyDJMQGHGQWCLVLY-UHFFFAOYSA-N
XLogP2.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (CID 62338122) is 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOc1ccnc(Cl)n1.
What is the InChIKey of 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The InChIKey is DJMQGHGQWCLVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3.
What are the key properties of 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole has a molecular weight of 255.73 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloropyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 62338122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).