2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole

C9H12N4OS — CID 99621422

IUPAC2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole
SMILESCO[C@@H](C)c1nc(Cn2ccnn2)cs1
InChIInChI=1S/C9H12N4OS/c1-7(14-2)9-11-8(6-15-9)5-13-4-3-10-12-13/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyWPDAGWLHHBNFLX-ZETCQYMHSA-N
MW224.29 g/mol
LogP1.49
Rot. Bonds4

About 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole

2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole (PubChem CID 99621422) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole
PubChem CID99621422
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole
SMILESCO[C@@H](C)c1nc(Cn2ccnn2)cs1
InChIInChI=1S/C9H12N4OS/c1-7(14-2)9-11-8(6-15-9)5-13-4-3-10-12-13/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyWPDAGWLHHBNFLX-ZETCQYMHSA-N
XLogP1.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
CID 75468243
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
2-bromo-4-[[4-(1-methoxyethyl)triazol-1-yl]methyl]-1,3-thiazole
CID 167779447
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one
CID 99831395
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 62401873
2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole
CID 166193350
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole (CID 99621422) is 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole is CO[C@@H](C)c1nc(Cn2ccnn2)cs1.
What is the InChIKey of 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is WPDAGWLHHBNFLX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7(14-2)9-11-8(6-15-9)5-13-4-3-10-12-13/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole?
2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 224.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 99621422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).