N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C9H14N2O4S — CID 66178135

IUPACN-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(O)CO
InChIInChI=1S/C9H14N2O4S/c1-6-5-16-9(15)11(6)3-8(14)10-2-7(13)4-12/h5,7,12-13H,2-4H2,1H3,(H,10,14)
InChIKeySFISMLKLHGKMHX-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.31
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 66178135) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID66178135
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(O)CO
InChIInChI=1S/C9H14N2O4S/c1-6-5-16-9(15)11(6)3-8(14)10-2-7(13)4-12/h5,7,12-13H,2-4H2,1H3,(H,10,14)
InChIKeySFISMLKLHGKMHX-UHFFFAOYSA-N
XLogP-1.31
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 66178135) is N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is SFISMLKLHGKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-6-5-16-9(15)11(6)3-8(14)10-2-7(13)4-12/h5,7,12-13H,2-4H2,1H3,(H,10,14).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 246.29 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 66178135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).