N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide

C15H21N5O2S — CID 99604213

IUPACN-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
SMILESCC[C@@H](NC(=O)C(=O)Nc1ncc(C)s1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N5O2S/c1-6-11(12-9(3)19-20(5)10(12)4)17-13(21)14(22)18-15-16-7-8(2)23-15/h7,11H,6H2,1-5H3,(H,17,21)(H,16,18,22)/t11-/m1/s1
InChIKeyNYLSCIIJKSJJPU-LLVKDONJSA-N
MW335.43 g/mol
LogP2.01
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide

N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide (PubChem CID 99604213) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
PubChem CID99604213
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
SMILESCC[C@@H](NC(=O)C(=O)Nc1ncc(C)s1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H21N5O2S/c1-6-11(12-9(3)19-20(5)10(12)4)17-13(21)14(22)18-15-16-7-8(2)23-15/h7,11H,6H2,1-5H3,(H,17,21)(H,16,18,22)/t11-/m1/s1
InChIKeyNYLSCIIJKSJJPU-LLVKDONJSA-N
XLogP2.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43382408
1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 71990495
N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 115717343
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079
2-amino-5-nitro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99790565
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61191664

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide (CID 99604213) is N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide is CC[C@@H](NC(=O)C(=O)Nc1ncc(C)s1)c1c(C)nn(C)c1C.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide?
The InChIKey is NYLSCIIJKSJJPU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-6-11(12-9(3)19-20(5)10(12)4)17-13(21)14(22)18-15-16-7-8(2)23-15/h7,11H,6H2,1-5H3,(H,17,21)(H,16,18,22)/t11-/m1/s1.
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide?
N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide has a molecular weight of 335.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide is sourced from PubChem (CID 99604213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).