4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole

C10H11NO2S2 — CID 124621495

IUPAC4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole
SMILESCc1csc(C[S@](=O)c2ccoc2C)n1
InChIInChI=1S/C10H11NO2S2/c1-7-5-14-10(11-7)6-15(12)9-3-4-13-8(9)2/h3-5H,6H2,1-2H3/t15-/m0/s1
InChIKeyDEIMHJKGAJROPP-HNNXBMFYSA-N
MW241.34 g/mol
LogP2.66
Rot. Bonds3

About 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole

4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole (PubChem CID 124621495) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole
PubChem CID124621495
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Name4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole
SMILESCc1csc(C[S@](=O)c2ccoc2C)n1
InChIInChI=1S/C10H11NO2S2/c1-7-5-14-10(11-7)6-15(12)9-3-4-13-8(9)2/h3-5H,6H2,1-2H3/t15-/m0/s1
InChIKeyDEIMHJKGAJROPP-HNNXBMFYSA-N
XLogP2.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfinyl]benzoic acid
CID 113371867
2-ethylsulfinyl-4-methyl-1,3-thiazole
CID 71369938
2-ethyl-4-methyl-1,3-thiazole
CID 27440
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-(3-bromofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 63941255
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]-6-methylaniline
CID 81186718
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 63948149
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
CID 131842856
CID 131842856
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole (CID 124621495) is 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole is Cc1csc(C[S@](=O)c2ccoc2C)n1.
What is the InChIKey of 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole?
The InChIKey is DEIMHJKGAJROPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-7-5-14-10(11-7)6-15(12)9-3-4-13-8(9)2/h3-5H,6H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole?
4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole has a molecular weight of 241.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 124621495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).