2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol

C8H13NO2S — CID 79449809

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
SMILESCc1ncc(CC(CO)CO)s1
InChIInChI=1S/C8H13NO2S/c1-6-9-3-8(12-6)2-7(4-10)5-11/h3,7,10-11H,2,4-5H2,1H3
InChIKeyYMCCPCXFYUNTSG-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.59
Rot. Bonds4

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol

2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol (PubChem CID 79449809) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
PubChem CID79449809
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
SMILESCc1ncc(CC(CO)CO)s1
InChIInChI=1S/C8H13NO2S/c1-6-9-3-8(12-6)2-7(4-10)5-11/h3,7,10-11H,2,4-5H2,1H3
InChIKeyYMCCPCXFYUNTSG-UHFFFAOYSA-N
XLogP0.59
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-ol
CID 66060461
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
CID 66057736
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
5-[2-(chloromethyl)-3,3-dimethylbutyl]-2-methyl-1,3-thiazole
CID 83139081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol (CID 79449809) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol is Cc1ncc(CC(CO)CO)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol?
The InChIKey is YMCCPCXFYUNTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-9-3-8(12-6)2-7(4-10)5-11/h3,7,10-11H,2,4-5H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol?
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol has a molecular weight of 187.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79449809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).