3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 2440663

IUPAC3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
SMILESC/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C13H15N3OS/c1-9-11(18-13(14-2)16(9)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17)/b14-13-
InChIKeyUDNIJWFHFFDQNU-YPKPFQOOSA-N
MW261.35 g/mol
LogP2.18
Rot. Bonds2

About 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide

3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2440663) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2440663
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
SMILESC/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1C
InChIInChI=1S/C13H15N3OS/c1-9-11(18-13(14-2)16(9)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17)/b14-13-
InChIKeyUDNIJWFHFFDQNU-YPKPFQOOSA-N
XLogP2.18
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide (CID 2440663) is 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide is C/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1C.
What is the InChIKey of 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UDNIJWFHFFDQNU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-11(18-13(14-2)16(9)3)12(17)15-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,17)/b14-13-.
What are the key properties of 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide?
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2440663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).