N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 9112296

IUPACN,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCc2ccccc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H19N3OS/c1-11-13(14(19)18(2)3)20-15(17-11)16-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,17)
InChIKeyVLWNSGPSLLSPQF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.81
Rot. Bonds5

About N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 9112296) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
PubChem CID9112296
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCc2ccccc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H19N3OS/c1-11-13(14(19)18(2)3)20-15(17-11)16-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,17)
InChIKeyVLWNSGPSLLSPQF-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.81
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-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (CID 9112296) is N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NCCc2ccccc2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VLWNSGPSLLSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-13(14(19)18(2)3)20-15(17-11)16-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,17).
What are the key properties of N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.81, 5 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-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9112296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).