methyl 5-ethyl-1,3-thiazole-2-carboximidate

C7H10N2OS — CID 130979726

IUPACmethyl 5-ethyl-1,3-thiazole-2-carboximidate
SMILES[H]/N=C(\OC)c1ncc(CC)s1
InChIInChI=1S/C7H10N2OS/c1-3-5-4-9-7(11-5)6(8)10-2/h4,8H,3H2,1-2H3/b8-6-
InChIKeyVCAAMFWGKQLQHO-VURMDHGXSA-N
MW170.24 g/mol
LogP1.68
Rot. Bonds2

About methyl 5-ethyl-1,3-thiazole-2-carboximidate

methyl 5-ethyl-1,3-thiazole-2-carboximidate (PubChem CID 130979726) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is methyl 5-ethyl-1,3-thiazole-2-carboximidate.

Molecular Properties

Compound Namemethyl 5-ethyl-1,3-thiazole-2-carboximidate
PubChem CID130979726
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Namemethyl 5-ethyl-1,3-thiazole-2-carboximidate
SMILES[H]/N=C(\OC)c1ncc(CC)s1
InChIInChI=1S/C7H10N2OS/c1-3-5-4-9-7(11-5)6(8)10-2/h4,8H,3H2,1-2H3/b8-6-
InChIKeyVCAAMFWGKQLQHO-VURMDHGXSA-N
XLogP1.68
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-ethyl-1,3-thiazole-2-carboximidate with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 131134612
propan-2-yl 5-ethyl-1,3-thiazole-2-carboxylate
CID 91226851
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
methyl 5-bromopyridine-3-carboximidate
CID 15211508
5-ethyl-1,3-thiazol-2-amine;thiourea
CID 160637365
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
methyl 3-methylpyrazine-2-carboximidate
CID 152584637
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-N-methylhydroxylamine
CID 82598709
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
CID 86792370

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1,3-thiazole-2-carboximidate?
The IUPAC name of methyl 5-ethyl-1,3-thiazole-2-carboximidate (CID 130979726) is methyl 5-ethyl-1,3-thiazole-2-carboximidate.
What is the SMILES notation for methyl 5-ethyl-1,3-thiazole-2-carboximidate?
The canonical SMILES for methyl 5-ethyl-1,3-thiazole-2-carboximidate is [H]/N=C(\OC)c1ncc(CC)s1.
What is the InChIKey of methyl 5-ethyl-1,3-thiazole-2-carboximidate?
The InChIKey is VCAAMFWGKQLQHO-VURMDHGXSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-5-4-9-7(11-5)6(8)10-2/h4,8H,3H2,1-2H3/b8-6-.
What are the key properties of methyl 5-ethyl-1,3-thiazole-2-carboximidate?
methyl 5-ethyl-1,3-thiazole-2-carboximidate has a molecular weight of 170.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1,3-thiazole-2-carboximidate is sourced from PubChem (CID 130979726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).