4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide

C15H18N4O2S — CID 56813873

IUPAC4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)Cc1csc(Cc2ccccn2)n1
InChIInChI=1S/C15H18N4O2S/c16-13(20)5-3-7-18-14(21)8-12-10-22-15(19-12)9-11-4-1-2-6-17-11/h1-2,4,6,10H,3,5,7-9H2,(H2,16,20)(H,18,21)
InChIKeySIIKPQFWPDWCLZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.05
Rot. Bonds8

About 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide

4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide (PubChem CID 56813873) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide
PubChem CID56813873
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)Cc1csc(Cc2ccccn2)n1
InChIInChI=1S/C15H18N4O2S/c16-13(20)5-3-7-18-14(21)8-12-10-22-15(19-12)9-11-4-1-2-6-17-11/h1-2,4,6,10H,3,5,7-9H2,(H2,16,20)(H,18,21)
InChIKeySIIKPQFWPDWCLZ-UHFFFAOYSA-N
XLogP1.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide?
The IUPAC name of 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide (CID 56813873) is 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide.
What is the SMILES notation for 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide?
The canonical SMILES for 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide is NC(=O)CCCNC(=O)Cc1csc(Cc2ccccn2)n1.
What is the InChIKey of 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide?
The InChIKey is SIIKPQFWPDWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-13(20)5-3-7-18-14(21)8-12-10-22-15(19-12)9-11-4-1-2-6-17-11/h1-2,4,6,10H,3,5,7-9H2,(H2,16,20)(H,18,21).
What are the key properties of 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide?
4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide has a molecular weight of 318.40 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide is sourced from PubChem (CID 56813873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).