3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide

C15H20N2OS — CID 158091954

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCCCNC(=O)C1=CC(c2csc(C)n2)=CC1
InChIInChI=1S/C15H20N2OS/c1-3-4-5-8-16-15(18)13-7-6-12(9-13)14-10-19-11(2)17-14/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,18)
InChIKeyFOFDTSRBIUUEFI-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds6

About 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 158091954) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide
PubChem CID158091954
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCCCNC(=O)C1=CC(c2csc(C)n2)=CC1
InChIInChI=1S/C15H20N2OS/c1-3-4-5-8-16-15(18)13-7-6-12(9-13)14-10-19-11(2)17-14/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,18)
InChIKeyFOFDTSRBIUUEFI-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
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 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide (CID 158091954) is 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide is CCCCCNC(=O)C1=CC(c2csc(C)n2)=CC1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is FOFDTSRBIUUEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-4-5-8-16-15(18)13-7-6-12(9-13)14-10-19-11(2)17-14/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-pentylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 158091954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).