(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide

C18H23ClN2OS — CID 2369609

IUPAC(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)Cl)n2)cc1
InChIInChI=1S/C18H23ClN2OS/c1-3-4-5-6-7-14-8-10-15(11-9-14)16-12-23-18(20-16)21-17(22)13(2)19/h8-13H,3-7H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyXNOXIEGYDMAVKS-CYBMUJFWSA-N
MW350.92 g/mol
LogP5.50
Rot. Bonds8

About (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide

(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2369609) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID2369609
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)Cl)n2)cc1
InChIInChI=1S/C18H23ClN2OS/c1-3-4-5-6-7-14-8-10-15(11-9-14)16-12-23-18(20-16)21-17(22)13(2)19/h8-13H,3-7H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyXNOXIEGYDMAVKS-CYBMUJFWSA-N
XLogP5.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.92
LogP ≤ 55.50
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

2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 3292314
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
3-[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539161
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide (CID 2369609) is (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide is CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)Cl)n2)cc1.
What is the InChIKey of (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XNOXIEGYDMAVKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23ClN2OS/c1-3-4-5-6-7-14-8-10-15(11-9-14)16-12-23-18(20-16)21-17(22)13(2)19/h8-13H,3-7H2,1-2H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 350.92 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2369609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).