4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide

C12H16N4O2S — CID 60976457

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-8-19-12(18)16(9)6-2-3-11(17)13-7-10-4-5-14-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyQGJQGDYNKKXOGP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds6

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 60976457) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID60976457
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9-8-19-12(18)16(9)6-2-3-11(17)13-7-10-4-5-14-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyQGJQGDYNKKXOGP-UHFFFAOYSA-N
XLogP1.04
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 60976457) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide is Cc1csc(=O)n1CCCC(=O)NCc1ccn[nH]1.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is QGJQGDYNKKXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-8-19-12(18)16(9)6-2-3-11(17)13-7-10-4-5-14-15-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 60976457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).