5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine

C12H21N3OS — CID 79771276

IUPAC5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(Cc1cnc(N)s1)C(C)C1CC1
InChIInChI=1S/C12H21N3OS/c1-9(10-3-4-10)15(5-6-16-2)8-11-7-14-12(13)17-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyPNCBOOCVDSGGGY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.97
Rot. Bonds7

About 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79771276) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79771276
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(Cc1cnc(N)s1)C(C)C1CC1
InChIInChI=1S/C12H21N3OS/c1-9(10-3-4-10)15(5-6-16-2)8-11-7-14-12(13)17-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyPNCBOOCVDSGGGY-UHFFFAOYSA-N
XLogP1.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine (CID 79771276) is 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine is COCCN(Cc1cnc(N)s1)C(C)C1CC1.
What is the InChIKey of 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is PNCBOOCVDSGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(10-3-4-10)15(5-6-16-2)8-11-7-14-12(13)17-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).