2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole

C15H13N3OS — CID 166393797

IUPAC2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(OCc3cncnc3)cc2)cs1
InChIInChI=1S/C15H13N3OS/c1-11-18-15(9-20-11)13-2-4-14(5-3-13)19-8-12-6-16-10-17-7-12/h2-7,9-10H,8H2,1H3
InChIKeyDCAHHWYVAXAVNX-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole

2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole (PubChem CID 166393797) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
PubChem CID166393797
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(OCc3cncnc3)cc2)cs1
InChIInChI=1S/C15H13N3OS/c1-11-18-15(9-20-11)13-2-4-14(5-3-13)19-8-12-6-16-10-17-7-12/h2-7,9-10H,8H2,1H3
InChIKeyDCAHHWYVAXAVNX-UHFFFAOYSA-N
XLogP3.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 119039533
(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 100673610
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
CID 123280035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole (CID 166393797) is 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(OCc3cncnc3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole?
The InChIKey is DCAHHWYVAXAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-18-15(9-20-11)13-2-4-14(5-3-13)19-8-12-6-16-10-17-7-12/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole?
2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole has a molecular weight of 283.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 166393797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).