2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole

C10H13N5S — CID 167922140

IUPAC2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2nc(N3CCC3)n[nH]2)n1
InChIInChI=1S/C10H13N5S/c1-7-6-16-9(11-7)5-8-12-10(14-13-8)15-3-2-4-15/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyXJXAIOZCAOMQKU-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.37
Rot. Bonds3

About 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole

2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 167922140) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID167922140
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cc2nc(N3CCC3)n[nH]2)n1
InChIInChI=1S/C10H13N5S/c1-7-6-16-9(11-7)5-8-12-10(14-13-8)15-3-2-4-15/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyXJXAIOZCAOMQKU-UHFFFAOYSA-N
XLogP1.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
3-(azetidin-1-yl)-5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole
CID 167752461
4-methyl-1-[5-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 166235027
2-ethyl-4-methyl-1,3-thiazole
CID 27440
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]azepane
CID 167928995
4-(1-methylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
5-bromo-6-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-4-thione
CID 106480285
4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422820
1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792806
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole (CID 167922140) is 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole is Cc1csc(Cc2nc(N3CCC3)n[nH]2)n1.
What is the InChIKey of 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is XJXAIOZCAOMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-6-16-9(11-7)5-8-12-10(14-13-8)15-3-2-4-15/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole?
2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 235.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(azetidin-1-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 167922140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).