2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide

C15H17N3O2S — CID 95099186

IUPAC2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)N[C@H](C)c2ccccc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-3-16-14(20)15-18-12(9-21-15)13(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyRNMTYHBHRDVFQV-SNVBAGLBSA-N
MW303.39 g/mol
LogP2.38
Rot. Bonds5

About 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide

2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 95099186) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID95099186
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)N[C@H](C)c2ccccc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-3-16-14(20)15-18-12(9-21-15)13(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1
InChIKeyRNMTYHBHRDVFQV-SNVBAGLBSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158357
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46113593
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158586
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide (CID 95099186) is 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide is CCNC(=O)c1nc(C(=O)N[C@H](C)c2ccccc2)cs1.
What is the InChIKey of 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is RNMTYHBHRDVFQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-16-14(20)15-18-12(9-21-15)13(19)17-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,20)(H,17,19)/t10-/m1/s1.
What are the key properties of 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide?
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 95099186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).