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

C6H8N2OS — CID 58371933

IUPACmethyl 2-methyl-1,3-thiazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cnc(C)s1
InChIInChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(7)9-2/h3,7H,1-2H3/b7-6-
InChIKeyIXZXHKMWWIKAAM-SREVYHEPSA-N
MW156.21 g/mol
LogP1.42
Rot. Bonds1

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

methyl 2-methyl-1,3-thiazole-5-carboximidate (PubChem CID 58371933) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is methyl 2-methyl-1,3-thiazole-5-carboximidate.

Molecular Properties

Compound Namemethyl 2-methyl-1,3-thiazole-5-carboximidate
PubChem CID58371933
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Namemethyl 2-methyl-1,3-thiazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cnc(C)s1
InChIInChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(7)9-2/h3,7H,1-2H3/b7-6-
InChIKeyIXZXHKMWWIKAAM-SREVYHEPSA-N
XLogP1.42
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.42
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,3-thiazole-5-carboximidate?
The IUPAC name of methyl 2-methyl-1,3-thiazole-5-carboximidate (CID 58371933) is methyl 2-methyl-1,3-thiazole-5-carboximidate.
What is the SMILES notation for methyl 2-methyl-1,3-thiazole-5-carboximidate?
The canonical SMILES for methyl 2-methyl-1,3-thiazole-5-carboximidate is [H]/N=C(\OC)c1cnc(C)s1.
What is the InChIKey of methyl 2-methyl-1,3-thiazole-5-carboximidate?
The InChIKey is IXZXHKMWWIKAAM-SREVYHEPSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(7)9-2/h3,7H,1-2H3/b7-6-.
What are the key properties of methyl 2-methyl-1,3-thiazole-5-carboximidate?
methyl 2-methyl-1,3-thiazole-5-carboximidate has a molecular weight of 156.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,3-thiazole-5-carboximidate is sourced from PubChem (CID 58371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).