2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide

C14H19N5O2S — CID 166234133

IUPAC2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C14H19N5O2S/c1-8(17-13(21)14(2,3)4)11(20)18-9-7-16-19-10(9)12-15-5-6-22-12/h5-8H,1-4H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyHYVDMTGZJUVMFL-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.02
Rot. Bonds4

About 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide (PubChem CID 166234133) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
PubChem CID166234133
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C14H19N5O2S/c1-8(17-13(21)14(2,3)4)11(20)18-9-7-16-19-10(9)12-15-5-6-22-12/h5-8H,1-4H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyHYVDMTGZJUVMFL-UHFFFAOYSA-N
XLogP2.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide (CID 166234133) is 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1-c1nccs1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide?
The InChIKey is HYVDMTGZJUVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8(17-13(21)14(2,3)4)11(20)18-9-7-16-19-10(9)12-15-5-6-22-12/h5-8H,1-4H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide has a molecular weight of 321.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 166234133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).