5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide

C16H19ClN2OS — CID 43470750

IUPAC5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCCCCl)n2)cc1
InChIInChI=1S/C16H19ClN2OS/c1-2-12-6-8-13(9-7-12)14-11-21-16(18-14)19-15(20)5-3-4-10-17/h6-9,11H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyIDBKAIXOGQQXNC-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.72
Rot. Bonds7

About 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide

5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 43470750) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
PubChem CID43470750
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCc1ccc(-c2csc(NC(=O)CCCCCl)n2)cc1
InChIInChI=1S/C16H19ClN2OS/c1-2-12-6-8-13(9-7-12)14-11-21-16(18-14)19-15(20)5-3-4-10-17/h6-9,11H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyIDBKAIXOGQQXNC-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699309
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-chlorobutanamide
CID 4129995
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide (CID 43470750) is 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide is CCc1ccc(-c2csc(NC(=O)CCCCCl)n2)cc1.
What is the InChIKey of 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is IDBKAIXOGQQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-2-12-6-8-13(9-7-12)14-11-21-16(18-14)19-15(20)5-3-4-10-17/h6-9,11H,2-5,10H2,1H3,(H,18,19,20).
What are the key properties of 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide?
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 322.86 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 43470750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).