N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide

C10H16N2O3S — CID 170829536

IUPACN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1sc(C)nc1C
InChIInChI=1S/C10H16N2O3S/c1-5-10(16-7(3)12-5)9(15)8(14)4-11-6(2)13/h8-9,14-15H,4H2,1-3H3,(H,11,13)
InChIKeySGRNQHWCWIBMCJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.29
Rot. Bonds4

About N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829536) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829536
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1sc(C)nc1C
InChIInChI=1S/C10H16N2O3S/c1-5-10(16-7(3)12-5)9(15)8(14)4-11-6(2)13/h8-9,14-15H,4H2,1-3H3,(H,11,13)
InChIKeySGRNQHWCWIBMCJ-UHFFFAOYSA-N
XLogP0.29
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
CID 170827544
5-(3-acetamido-1,2-dihydroxypropyl)-4-methylthiophene-2-carboxylic acid
CID 170829911
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate
CID 170830493
4-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-2-carboxylate
CID 170829819
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
S-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170821376

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide (CID 170829536) is N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1sc(C)nc1C.
What is the InChIKey of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is SGRNQHWCWIBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-5-10(16-7(3)12-5)9(15)8(14)4-11-6(2)13/h8-9,14-15H,4H2,1-3H3,(H,11,13).
What are the key properties of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 244.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).