N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide

C14H24N2OS — CID 55555526

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
SMILESCCCCCCCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-4-5-6-7-8-9-13(17)16-14-15-12(10-18-14)11(2)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLZKDMDSXQDSPRE-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.57
Rot. Bonds8

About N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide (PubChem CID 55555526) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
PubChem CID55555526
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
SMILESCCCCCCCC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2OS/c1-4-5-6-7-8-9-13(17)16-14-15-12(10-18-14)11(2)3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLZKDMDSXQDSPRE-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.57
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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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide (CID 55555526) is N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide is CCCCCCCC(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide?
The InChIKey is LZKDMDSXQDSPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-5-6-7-8-9-13(17)16-14-15-12(10-18-14)11(2)3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide has a molecular weight of 268.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide is sourced from PubChem (CID 55555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).