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

C14H13FN6O2S — CID 165129988

IUPACN-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2(F)COC2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C14H13FN6O2S/c15-14(7-23-8-14)6-21-4-10(3-18-21)19-12(22)11-5-24-13(20-11)9-1-16-17-2-9/h1-5H,6-8H2,(H,16,17)(H,19,22)
InChIKeyDRPLLQGIOLJQLY-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.72
Rot. Bonds5

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

N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129988) has the molecular formula C14H13FN6O2S and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129988
Molecular FormulaC14H13FN6O2S
Molecular Weight348.36 g/mol
Exact Mass348.08
IUPAC NameN-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2(F)COC2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C14H13FN6O2S/c15-14(7-23-8-14)6-21-4-10(3-18-21)19-12(22)11-5-24-13(20-11)9-1-16-17-2-9/h1-5H,6-8H2,(H,16,17)(H,19,22)
InChIKeyDRPLLQGIOLJQLY-UHFFFAOYSA-N
XLogP1.72
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129988) is N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(CC2(F)COC2)c1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DRPLLQGIOLJQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O2S/c15-14(7-23-8-14)6-21-4-10(3-18-21)19-12(22)11-5-24-13(20-11)9-1-16-17-2-9/h1-5H,6-8H2,(H,16,17)(H,19,22).
What are the key properties of N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorooxetan-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).