2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole

C14H17NO2S — CID 116969959

IUPAC2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
SMILESCOCc1nc(-c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C14H17NO2S/c1-10(2)17-12-6-4-11(5-7-12)13-9-18-14(15-13)8-16-3/h4-7,9-10H,8H2,1-3H3
InChIKeyKEZCIGZIWTWRPT-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.74
Rot. Bonds5

About 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole

2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole (PubChem CID 116969959) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
PubChem CID116969959
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
SMILESCOCc1nc(-c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C14H17NO2S/c1-10(2)17-12-6-4-11(5-7-12)13-9-18-14(15-13)8-16-3/h4-7,9-10H,8H2,1-3H3
InChIKeyKEZCIGZIWTWRPT-UHFFFAOYSA-N
XLogP3.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969974
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338857
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561
[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
CID 2742539
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 109494091
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole (CID 116969959) is 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole is COCc1nc(-c2ccc(OC(C)C)cc2)cs1.
What is the InChIKey of 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The InChIKey is KEZCIGZIWTWRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(2)17-12-6-4-11(5-7-12)13-9-18-14(15-13)8-16-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole?
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole has a molecular weight of 263.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116969959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).