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

C15H14F2N6OS — CID 165129971

IUPACN-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2CC(F)(F)C2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H14F2N6OS/c16-15(17)1-9(2-15)6-23-7-11(5-20-23)21-13(24)12-8-25-14(22-12)10-3-18-19-4-10/h3-5,7-9H,1-2,6H2,(H,18,19)(H,21,24)
InChIKeyMHGOQYZRDYFJMD-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.03
Rot. Bonds5

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

N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129971) has the molecular formula C15H14F2N6OS and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129971
Molecular FormulaC15H14F2N6OS
Molecular Weight364.38 g/mol
Exact Mass364.09
IUPAC NameN-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2CC(F)(F)C2)c1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C15H14F2N6OS/c16-15(17)1-9(2-15)6-23-7-11(5-20-23)21-13(24)12-8-25-14(22-12)10-3-18-19-4-10/h3-5,7-9H,1-2,6H2,(H,18,19)(H,21,24)
InChIKeyMHGOQYZRDYFJMD-UHFFFAOYSA-N
XLogP3.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129971) is N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(CC2CC(F)(F)C2)c1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHGOQYZRDYFJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6OS/c16-15(17)1-9(2-15)6-23-7-11(5-20-23)21-13(24)12-8-25-14(22-12)10-3-18-19-4-10/h3-5,7-9H,1-2,6H2,(H,18,19)(H,21,24).
What are the key properties of N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).