N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H20FN3O2S — CID 72837310

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-10(2)17-21-11(3)14(24-17)16(23)20-9-8-19-15(22)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySJZQGUCRWZKYIV-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds6

About N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72837310) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72837310
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-10(2)17-21-11(3)14(24-17)16(23)20-9-8-19-15(22)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySJZQGUCRWZKYIV-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46453331
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72920355
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49328580
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72837310) is N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SJZQGUCRWZKYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-10(2)17-21-11(3)14(24-17)16(23)20-9-8-19-15(22)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72837310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).