2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide

C15H16N6OS — CID 72939872

IUPAC2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1csc(-c2ncccn2)n1)n1cccn1
InChIInChI=1S/C15H16N6OS/c1-2-12(21-8-4-7-19-21)14(22)18-9-11-10-23-15(20-11)13-16-5-3-6-17-13/h3-8,10,12H,2,9H2,1H3,(H,18,22)
InChIKeyKRVGCSUYPIKKDE-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.06
Rot. Bonds6

About 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide

2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 72939872) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID72939872
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(C(=O)NCc1csc(-c2ncccn2)n1)n1cccn1
InChIInChI=1S/C15H16N6OS/c1-2-12(21-8-4-7-19-21)14(22)18-9-11-10-23-15(20-11)13-16-5-3-6-17-13/h3-8,10,12H,2,9H2,1H3,(H,18,22)
InChIKeyKRVGCSUYPIKKDE-UHFFFAOYSA-N
XLogP2.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide (CID 72939872) is 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide is CCC(C(=O)NCc1csc(-c2ncccn2)n1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is KRVGCSUYPIKKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-2-12(21-8-4-7-19-21)14(22)18-9-11-10-23-15(20-11)13-16-5-3-6-17-13/h3-8,10,12H,2,9H2,1H3,(H,18,22).
What are the key properties of 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 328.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 72939872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).