5-pentyl-1,3-thiazole-2-carboxamide

C9H14N2OS — CID 68638401

IUPAC5-pentyl-1,3-thiazole-2-carboxamide
SMILESCCCCCc1cnc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-5-7-6-11-9(13-7)8(10)12/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyCAOCFABGPHOMAZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.97
Rot. Bonds5

About 5-pentyl-1,3-thiazole-2-carboxamide

5-pentyl-1,3-thiazole-2-carboxamide (PubChem CID 68638401) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-pentyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-pentyl-1,3-thiazole-2-carboxamide
PubChem CID68638401
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-pentyl-1,3-thiazole-2-carboxamide
SMILESCCCCCc1cnc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-5-7-6-11-9(13-7)8(10)12/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyCAOCFABGPHOMAZ-UHFFFAOYSA-N
XLogP1.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-pentyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-pentyl-1,3-thiazole-2-carboxamide (CID 68638401) is 5-pentyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-pentyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-pentyl-1,3-thiazole-2-carboxamide is CCCCCc1cnc(C(N)=O)s1.
What is the InChIKey of 5-pentyl-1,3-thiazole-2-carboxamide?
The InChIKey is CAOCFABGPHOMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-4-5-7-6-11-9(13-7)8(10)12/h6H,2-5H2,1H3,(H2,10,12).
What are the key properties of 5-pentyl-1,3-thiazole-2-carboxamide?
5-pentyl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68638401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).