N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide

C17H17N5O2S — CID 122190961

IUPACN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nccs1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O2S/c23-15(14-11-13(21-22-14)12-5-2-1-3-6-12)18-7-4-8-19-16(24)17-20-9-10-25-17/h1-3,5-6,9-11H,4,7-8H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyRHUMPIOPYLFYHR-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.08
Rot. Bonds7

About N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide

N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide (PubChem CID 122190961) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
PubChem CID122190961
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nccs1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H17N5O2S/c23-15(14-11-13(21-22-14)12-5-2-1-3-6-12)18-7-4-8-19-16(24)17-20-9-10-25-17/h1-3,5-6,9-11H,4,7-8H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyRHUMPIOPYLFYHR-UHFFFAOYSA-N
XLogP2.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131990295
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131991761
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990271
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 131990284
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445
N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
CID 110467918

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide (CID 122190961) is N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide is O=C(NCCCNC(=O)c1nccs1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide?
The InChIKey is RHUMPIOPYLFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15(14-11-13(21-22-14)12-5-2-1-3-6-12)18-7-4-8-19-16(24)17-20-9-10-25-17/h1-3,5-6,9-11H,4,7-8H2,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide?
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122190961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).