5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole

C14H17NO2S2 — CID 99831712

IUPAC5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(CC[S@@](=O)Cc2cnc(C)s2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11-15-9-14(18-11)10-19(16)8-7-12-3-5-13(17-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3/t19-/m1/s1
InChIKeyPPEDUSLTDTZNOH-LJQANCHMSA-N
MW295.43 g/mol
LogP2.95
Rot. Bonds6

About 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole

5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole (PubChem CID 99831712) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole
PubChem CID99831712
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(CC[S@@](=O)Cc2cnc(C)s2)cc1
InChIInChI=1S/C14H17NO2S2/c1-11-15-9-14(18-11)10-19(16)8-7-12-3-5-13(17-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3/t19-/m1/s1
InChIKeyPPEDUSLTDTZNOH-LJQANCHMSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143101
2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole
CID 75379477
2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine
CID 99859153
3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982858
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
3-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 61282176
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841826

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole (CID 99831712) is 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole is COc1ccc(CC[S@@](=O)Cc2cnc(C)s2)cc1.
What is the InChIKey of 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is PPEDUSLTDTZNOH-LJQANCHMSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11-15-9-14(18-11)10-19(16)8-7-12-3-5-13(17-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3/t19-/m1/s1.
What are the key properties of 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole?
5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 295.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 99831712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).