5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

C18H17NO2S2 — CID 155560597

IUPAC5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESCOc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1
InChIInChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23+/m1/s1
InChIKeyZIRUMFOISHAJDS-JPYJTQIMSA-N
MW343.47 g/mol
LogP4.19
Rot. Bonds6

About 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 155560597) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
PubChem CID155560597
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESCOc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1
InChIInChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23+/m1/s1
InChIKeyZIRUMFOISHAJDS-JPYJTQIMSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Thiazolemethylene)indane 27a
CID 6539806
5-{[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-1,3-thiazole
CID 6539807
2-Chloro-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]thiazole
CID 1484591
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
5-(4-Methoxyphenyl)thiazole
CID 69645159
5-[[(S)-[(S)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155517981
5-[Bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155524272
5-[[(R)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155528557
5-[[(R)-[(S)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155559008
5-(4-Methoxy-phenyl)-2-p-tolyl-thiazole
CID 11565401
2-Bromo-5-(4-methoxyphenyl)thiazole
CID 45142089
2-(4-Methoxyphenyl)-5-phenyl-1,3-thiazole
CID 11265635

Frequently Asked Questions

What is the IUPAC name of 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (CID 155560597) is 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is COc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1.
What is the InChIKey of 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is ZIRUMFOISHAJDS-JPYJTQIMSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23+/m1/s1.
What are the key properties of 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole has a molecular weight of 343.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 155560597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).