N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H15FN6OS — CID 165129981

IUPACN-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2(F)CCC2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H15FN6OS/c16-15(2-1-3-15)9-22-7-11(6-19-22)20-13(23)12-8-24-14(21-12)10-4-17-18-5-10/h4-8H,1-3,9H2,(H,17,18)(H,20,23)
InChIKeyCIKJIKLMKNSYQI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.87
Rot. Bonds5

About N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129981) has the molecular formula C15H15FN6OS and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129981
Molecular FormulaC15H15FN6OS
Molecular Weight346.39 g/mol
Exact Mass346.10
IUPAC NameN-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2(F)CCC2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H15FN6OS/c16-15(2-1-3-15)9-22-7-11(6-19-22)20-13(23)12-8-24-14(21-12)10-4-17-18-5-10/h4-8H,1-3,9H2,(H,17,18)(H,20,23)
InChIKeyCIKJIKLMKNSYQI-UHFFFAOYSA-N
XLogP2.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129981) is N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(CC2(F)CCC2)c1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CIKJIKLMKNSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6OS/c16-15(2-1-3-15)9-22-7-11(6-19-22)20-13(23)12-8-24-14(21-12)10-4-17-18-5-10/h4-8H,1-3,9H2,(H,17,18)(H,20,23).
What are the key properties of N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-fluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).