2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol

C12H15NO3S3 — CID 111469884

IUPAC2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
SMILESCC(CO)CS(=O)(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NO3S3/c1-9(4-14)7-19(15,16)8-11-6-18-12(13-11)10-2-3-17-5-10/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyYQYVDFCMKIEQHZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.41
Rot. Bonds6

About 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol

2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol (PubChem CID 111469884) has the molecular formula C12H15NO3S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
PubChem CID111469884
Molecular FormulaC12H15NO3S3
Molecular Weight317.46 g/mol
Exact Mass317.02
IUPAC Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
SMILESCC(CO)CS(=O)(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NO3S3/c1-9(4-14)7-19(15,16)8-11-6-18-12(13-11)10-2-3-17-5-10/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeyYQYVDFCMKIEQHZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 167915071
2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469868
2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241284
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565652
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol (CID 111469884) is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol is CC(CO)CS(=O)(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The InChIKey is YQYVDFCMKIEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S3/c1-9(4-14)7-19(15,16)8-11-6-18-12(13-11)10-2-3-17-5-10/h2-3,5-6,9,14H,4,7-8H2,1H3.
What are the key properties of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol has a molecular weight of 317.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol is sourced from PubChem (CID 111469884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).