2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H19N3O2S — CID 2444065

IUPAC2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C15H19N3O2S/c1-10-13(14(19)18(2)3)21-15(17-10)16-9-11-7-5-6-8-12(11)20-4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeySOCCXSLLUMFFKP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.77
Rot. Bonds5

About 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 2444065) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID2444065
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C15H19N3O2S/c1-10-13(14(19)18(2)3)21-15(17-10)16-9-11-7-5-6-8-12(11)20-4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeySOCCXSLLUMFFKP-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 2444065) is 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is COc1ccccc1CNc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is SOCCXSLLUMFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-13(14(19)18(2)3)21-15(17-10)16-9-11-7-5-6-8-12(11)20-4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2444065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).