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

C11H19NO3S2 — CID 111469868

IUPAC2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
SMILESCCCc1nc(CS(=O)(=O)CC(C)CO)cs1
InChIInChI=1S/C11H19NO3S2/c1-3-4-11-12-10(6-16-11)8-17(14,15)7-9(2)5-13/h6,9,13H,3-5,7-8H2,1-2H3
InChIKeyBFNJTEHBYHDICX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.64
Rot. Bonds7

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

2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol (PubChem CID 111469868) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
PubChem CID111469868
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
SMILESCCCc1nc(CS(=O)(=O)CC(C)CO)cs1
InChIInChI=1S/C11H19NO3S2/c1-3-4-11-12-10(6-16-11)8-17(14,15)7-9(2)5-13/h6,9,13H,3-5,7-8H2,1-2H3
InChIKeyBFNJTEHBYHDICX-UHFFFAOYSA-N
XLogP1.64
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469884
5-[(2-butyl-1,3-thiazol-4-yl)methylsulfonyl]pentanenitrile
CID 60528086
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
CID 111104868
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
2-(3-methylbutyl)-4-[(4-methylphenyl)methylsulfonylmethyl]-1,3-thiazole
CID 47080012
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-2-propyl-1,3-thiazole
CID 86989623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol (CID 111469868) is 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol is CCCc1nc(CS(=O)(=O)CC(C)CO)cs1.
What is the InChIKey of 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
The InChIKey is BFNJTEHBYHDICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-3-4-11-12-10(6-16-11)8-17(14,15)7-9(2)5-13/h6,9,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol?
2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol is sourced from PubChem (CID 111469868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).