[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone

C14H11N3OS — CID 55201232

IUPAC[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C14H11N3OS/c1-17-8-11(7-15-17)12-9-19-14(16-12)13(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyLLTUHJJXSNZVOZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds3

About [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone

[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 55201232) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID55201232
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C14H11N3OS/c1-17-8-11(7-15-17)12-9-19-14(16-12)13(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyLLTUHJJXSNZVOZ-UHFFFAOYSA-N
XLogP2.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone (CID 55201232) is [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone is Cn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is LLTUHJJXSNZVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-17-8-11(7-15-17)12-9-19-14(16-12)13(18)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 269.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 55201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).