N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide

C23H25FN2O2S — CID 11961011

IUPACN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C23H25FN2O2S/c1-3-14-26(15-7-16-28-20-12-10-19(24)11-13-20)23(27)21-22(29-17(2)25-21)18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3
InChIKeySRJNFNHQDUFDHL-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.58
Rot. Bonds9

About N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide

N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 11961011) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID11961011
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C23H25FN2O2S/c1-3-14-26(15-7-16-28-20-12-10-19(24)11-13-20)23(27)21-22(29-17(2)25-21)18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3
InChIKeySRJNFNHQDUFDHL-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.58
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

[(2S)-2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184039
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-ethyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960929
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-methoxybenzamide
CID 7518131
[2-[2-(4-Fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 10113123
5-benzyl-N-(2-(4-ethoxybenzamido)ethyl)-4-phenylthiazole-2-carboxamide
CID 46885246
[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184040
[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 127038062
3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide
CID 71715448
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71499173

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide (CID 11961011) is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is SRJNFNHQDUFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-3-14-26(15-7-16-28-20-12-10-19(24)11-13-20)23(27)21-22(29-17(2)25-21)18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).