2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole

C17H15NOS — CID 132533720

IUPAC2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C17H15NOS/c1-13-18-17(12-20-13)15-7-9-16(10-8-15)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyUGOWAATZXGQJFY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.70
Rot. Bonds4

About 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole

2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 132533720) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID132533720
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C17H15NOS/c1-13-18-17(12-20-13)15-7-9-16(10-8-15)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyUGOWAATZXGQJFY-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
CID 166393797
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole (CID 132533720) is 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole is Cc1nc(-c2ccc(OCc3ccccc3)cc2)cs1.
What is the InChIKey of 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is UGOWAATZXGQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-13-18-17(12-20-13)15-7-9-16(10-8-15)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole?
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole has a molecular weight of 281.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 132533720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).