N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide

C19H25ClN2OS — CID 4302943

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H25ClN2OS/c1-2-3-4-5-6-7-8-9-18(23)22-19-21-17(14-24-19)15-10-12-16(20)13-11-15/h10-14H,2-9H2,1H3,(H,21,22,23)
InChIKeyFQVIHQVXHWADHD-UHFFFAOYSA-N
MW364.94 g/mol
LogP6.54
Rot. Bonds10

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide (PubChem CID 4302943) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
PubChem CID4302943
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H25ClN2OS/c1-2-3-4-5-6-7-8-9-18(23)22-19-21-17(14-24-19)15-10-12-16(20)13-11-15/h10-14H,2-9H2,1H3,(H,21,22,23)
InChIKeyFQVIHQVXHWADHD-UHFFFAOYSA-N
XLogP6.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 56.54
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-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]nonanehydrazide
CID 2718859
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521362
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide (CID 4302943) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide is CCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide?
The InChIKey is FQVIHQVXHWADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2OS/c1-2-3-4-5-6-7-8-9-18(23)22-19-21-17(14-24-19)15-10-12-16(20)13-11-15/h10-14H,2-9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide has a molecular weight of 364.94 g/mol, XLogP of 6.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide is sourced from PubChem (CID 4302943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).