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

C15H19N3OS — CID 4880774

IUPACN,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-5-7-12(8-6-10)9-16-15-17-11(2)13(20-15)14(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyRKUQESKZLVRYEF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.07
Rot. Bonds4

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

N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide (PubChem CID 4880774) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide
PubChem CID4880774
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-5-7-12(8-6-10)9-16-15-17-11(2)13(20-15)14(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyRKUQESKZLVRYEF-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide (CID 4880774) is N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide is Cc1ccc(CNc2nc(C)c(C(=O)N(C)C)s2)cc1.
What is the InChIKey of N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is RKUQESKZLVRYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-5-7-12(8-6-10)9-16-15-17-11(2)13(20-15)14(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4880774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).