4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole

C12H13NOS2 — CID 107511959

IUPAC4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C12H13NOS2/c1-14-7-10-8-16-12(13-10)9-3-5-11(15-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyTUFIIAIVLAHNDG-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.68
Rot. Bonds4

About 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole

4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole (PubChem CID 107511959) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
PubChem CID107511959
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C12H13NOS2/c1-14-7-10-8-16-12(13-10)9-3-5-11(15-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyTUFIIAIVLAHNDG-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 106850249
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
CID 106850261
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
CID 167839205
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole (CID 107511959) is 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole is COCc1csc(-c2ccc(SC)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole?
The InChIKey is TUFIIAIVLAHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-14-7-10-8-16-12(13-10)9-3-5-11(15-2)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole?
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole has a molecular weight of 251.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 107511959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).