5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine

C8H15N3OS — CID 123630313

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(C)c(CN)s1
InChIInChI=1S/C8H15N3OS/c1-6-7(5-9)13-8(11-6)10-3-4-12-2/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyLGJHPGUHKKPNDI-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.97
Rot. Bonds5

About 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 123630313) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID123630313
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(C)c(CN)s1
InChIInChI=1S/C8H15N3OS/c1-6-7(5-9)13-8(11-6)10-3-4-12-2/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyLGJHPGUHKKPNDI-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine (CID 123630313) is 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine is COCCNc1nc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LGJHPGUHKKPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6-7(5-9)13-8(11-6)10-3-4-12-2/h3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123630313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).