2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide

C21H21FN2O2S — CID 46440106

IUPAC2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-15-19(27-20(23-15)16-9-11-17(22)12-10-16)21(25)24(2)13-6-14-26-18-7-4-3-5-8-18/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyPIBGZVVDAPFUJU-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.80
Rot. Bonds7

About 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 46440106) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID46440106
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-15-19(27-20(23-15)16-9-11-17(22)12-10-16)21(25)24(2)13-6-14-26-18-7-4-3-5-8-18/h3-5,7-12H,6,13-14H2,1-2H3
InChIKeyPIBGZVVDAPFUJU-UHFFFAOYSA-N
XLogP4.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55898105
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935904
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24552841
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
4-[methyl-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119137189
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
2-[4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988096

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide (CID 46440106) is 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCCOc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PIBGZVVDAPFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-15-19(27-20(23-15)16-9-11-17(22)12-10-16)21(25)24(2)13-6-14-26-18-7-4-3-5-8-18/h3-5,7-12H,6,13-14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46440106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).