amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate

C10H15N3O2S — CID 142552957

IUPACamino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate
SMILES[H]/N=C(\ON)c1nc(C)sc1C1CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-6-13-8(10(11)15-12)9(16-6)7-2-4-14-5-3-7/h7,11H,2-5,12H2,1H3/b11-10-
InChIKeyDRZVLZCHYQVUKC-KHPPLWFESA-N
MW241.32 g/mol
LogP1.56
Rot. Bonds2

About amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate

amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate (PubChem CID 142552957) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate.

Molecular Properties

Compound Nameamino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate
PubChem CID142552957
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameamino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate
SMILES[H]/N=C(\ON)c1nc(C)sc1C1CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-6-13-8(10(11)15-12)9(16-6)7-2-4-14-5-3-7/h7,11H,2-5,12H2,1H3/b11-10-
InChIKeyDRZVLZCHYQVUKC-KHPPLWFESA-N
XLogP1.56
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate 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 amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate?
The IUPAC name of amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate (CID 142552957) is amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate.
What is the SMILES notation for amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate?
The canonical SMILES for amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate is [H]/N=C(\ON)c1nc(C)sc1C1CCOCC1.
What is the InChIKey of amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate?
The InChIKey is DRZVLZCHYQVUKC-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-13-8(10(11)15-12)9(16-6)7-2-4-14-5-3-7/h7,11H,2-5,12H2,1H3/b11-10-.
What are the key properties of amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate?
amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate has a molecular weight of 241.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-methyl-5-(oxan-4-yl)-1,3-thiazole-4-carboximidate is sourced from PubChem (CID 142552957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).