5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole

C14H16ClN3OS — CID 80972829

IUPAC5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H16ClN3OS/c1-8-12(15)17-13(10-3-4-10)18-14(8)19-6-5-11-9(2)16-7-20-11/h7,10H,3-6H2,1-2H3
InChIKeyBVWQQXXJZJVPNY-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole

5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (PubChem CID 80972829) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
PubChem CID80972829
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H16ClN3OS/c1-8-12(15)17-13(10-3-4-10)18-14(8)19-6-5-11-9(2)16-7-20-11/h7,10H,3-6H2,1-2H3
InChIKeyBVWQQXXJZJVPNY-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole (CID 80972829) is 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
The InChIKey is BVWQQXXJZJVPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8-12(15)17-13(10-3-4-10)18-14(8)19-6-5-11-9(2)16-7-20-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole?
5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole has a molecular weight of 309.82 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 80972829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).