5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C9H13N5OS — CID 62793997

IUPAC5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCn1cnnc1-c1sc(N)nc1C
InChIInChI=1S/C9H13N5OS/c1-6-7(16-9(10)12-6)8-13-11-5-14(8)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKEAWWUQHYAQVPN-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.94
Rot. Bonds4

About 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine

5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 62793997) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID62793997
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCn1cnnc1-c1sc(N)nc1C
InChIInChI=1S/C9H13N5OS/c1-6-7(16-9(10)12-6)8-13-11-5-14(8)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKEAWWUQHYAQVPN-UHFFFAOYSA-N
XLogP0.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 62793997) is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine is COCCn1cnnc1-c1sc(N)nc1C.
What is the InChIKey of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KEAWWUQHYAQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6-7(16-9(10)12-6)8-13-11-5-14(8)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62793997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).