N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine

C7H12N2OS — CID 19353659

IUPACN-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine
SMILESCOCCNc1cc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-6-5-7(11-9-6)8-3-4-10-2/h5,8H,3-4H2,1-2H3
InChIKeyVFEPCQBVORINKS-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.51
Rot. Bonds4

About N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine

N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine (PubChem CID 19353659) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine
PubChem CID19353659
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine
SMILESCOCCNc1cc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-6-5-7(11-9-6)8-3-4-10-2/h5,8H,3-4H2,1-2H3
InChIKeyVFEPCQBVORINKS-UHFFFAOYSA-N
XLogP1.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine (CID 19353659) is N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine is COCCNc1cc(C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine?
The InChIKey is VFEPCQBVORINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6-5-7(11-9-6)8-3-4-10-2/h5,8H,3-4H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine?
N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine has a molecular weight of 172.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 19353659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).