2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide

C12H15N5O2S — CID 60506634

IUPAC2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cn[nH]c2)cs1
InChIInChI=1S/C12H15N5O2S/c1-7(2)11(19)17-12-16-8(6-20-12)3-10(18)15-9-4-13-14-5-9/h4-7H,3H2,1-2H3,(H,13,14)(H,15,18)(H,16,17,19)
InChIKeyXTSDERFKTZPRNO-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 60506634) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID60506634
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cn[nH]c2)cs1
InChIInChI=1S/C12H15N5O2S/c1-7(2)11(19)17-12-16-8(6-20-12)3-10(18)15-9-4-13-14-5-9/h4-7H,3H2,1-2H3,(H,13,14)(H,15,18)(H,16,17,19)
InChIKeyXTSDERFKTZPRNO-UHFFFAOYSA-N
XLogP1.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide (CID 60506634) is 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2cn[nH]c2)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is XTSDERFKTZPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7(2)11(19)17-12-16-8(6-20-12)3-10(18)15-9-4-13-14-5-9/h4-7H,3H2,1-2H3,(H,13,14)(H,15,18)(H,16,17,19).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 60506634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).