N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C9H11N5O2S — CID 62401102

IUPACN-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2cc(CO)nn2)cs1
InChIInChI=1S/C9H11N5O2S/c1-6(16)10-9-11-8(5-17-9)3-14-2-7(4-15)12-13-14/h2,5,15H,3-4H2,1H3,(H,10,11,16)
InChIKeyLFEKHOVBNKOTKM-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.23
Rot. Bonds4

About N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62401102) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62401102
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cn2cc(CO)nn2)cs1
InChIInChI=1S/C9H11N5O2S/c1-6(16)10-9-11-8(5-17-9)3-14-2-7(4-15)12-13-14/h2,5,15H,3-4H2,1H3,(H,10,11,16)
InChIKeyLFEKHOVBNKOTKM-UHFFFAOYSA-N
XLogP0.23
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 66213821
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060397
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62399460
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566930
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638
N-[4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51106582
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 62401873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 62401102) is N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cn2cc(CO)nn2)cs1.
What is the InChIKey of N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LFEKHOVBNKOTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-6(16)10-9-11-8(5-17-9)3-14-2-7(4-15)12-13-14/h2,5,15H,3-4H2,1H3,(H,10,11,16).
What are the key properties of N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 253.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62401102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).