N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide

C9H10F2N2OS — CID 131043347

IUPACN-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)c1cscn1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)1-6(2-9)3-12-8(14)7-4-15-5-13-7/h4-6H,1-3H2,(H,12,14)
InChIKeyGWSZXZBEABQLTL-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.92
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131043347) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID131043347
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)c1cscn1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)1-6(2-9)3-12-8(14)7-4-15-5-13-7/h4-6H,1-3H2,(H,12,14)
InChIKeyGWSZXZBEABQLTL-UHFFFAOYSA-N
XLogP1.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide (CID 131043347) is N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CC(F)(F)C1)c1cscn1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GWSZXZBEABQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c10-9(11)1-6(2-9)3-12-8(14)7-4-15-5-13-7/h4-6H,1-3H2,(H,12,14).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).