1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C13H17N3OS — CID 114033636

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCc1nc(C)c(C(=O)Cc2ccn(C(C)C)n2)s1
InChIInChI=1S/C13H17N3OS/c1-8(2)16-6-5-11(15-16)7-12(17)13-9(3)14-10(4)18-13/h5-6,8H,7H2,1-4H3
InChIKeyZJUKAKHMFIDILD-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114033636) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114033636
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCc1nc(C)c(C(=O)Cc2ccn(C(C)C)n2)s1
InChIInChI=1S/C13H17N3OS/c1-8(2)16-6-5-11(15-16)7-12(17)13-9(3)14-10(4)18-13/h5-6,8H,7H2,1-4H3
InChIKeyZJUKAKHMFIDILD-UHFFFAOYSA-N
XLogP2.96
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 114033636) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is Cc1nc(C)c(C(=O)Cc2ccn(C(C)C)n2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is ZJUKAKHMFIDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)16-6-5-11(15-16)7-12(17)13-9(3)14-10(4)18-13/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 263.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).