2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H23N5OS2 — CID 46269633

IUPAC2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCc1c(C)nn(-c2nc(CC(=O)Nc3nccs3)cs2)c1C
InChIInChI=1S/C18H23N5OS2/c1-4-5-6-7-15-12(2)22-23(13(15)3)18-20-14(11-26-18)10-16(24)21-17-19-8-9-25-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21,24)
InChIKeyJUGALGCXRGVPBX-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.32
Rot. Bonds8

About 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46269633) has the molecular formula C18H23N5OS2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID46269633
Molecular FormulaC18H23N5OS2
Molecular Weight389.55 g/mol
Exact Mass389.13
IUPAC Name2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCc1c(C)nn(-c2nc(CC(=O)Nc3nccs3)cs2)c1C
InChIInChI=1S/C18H23N5OS2/c1-4-5-6-7-15-12(2)22-23(13(15)3)18-20-14(11-26-18)10-16(24)21-17-19-8-9-25-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21,24)
InChIKeyJUGALGCXRGVPBX-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46269633) is 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3nccs3)cs2)c1C.
What is the InChIKey of 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JUGALGCXRGVPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS2/c1-4-5-6-7-15-12(2)22-23(13(15)3)18-20-14(11-26-18)10-16(24)21-17-19-8-9-25-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,21,24).
What are the key properties of 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 389.55 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46269633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).