N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide

C12H14F2N2OS — CID 162773619

IUPACN-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnc(C2CC(F)(F)C2)s1)C1CCC1
InChIInChI=1S/C12H14F2N2OS/c13-12(14)4-8(5-12)11-15-6-9(18-11)16-10(17)7-2-1-3-7/h6-8H,1-5H2,(H,16,17)
InChIKeyXVMOYQNASCFBML-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.39
Rot. Bonds3

About N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide

N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide (PubChem CID 162773619) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide
PubChem CID162773619
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC NameN-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnc(C2CC(F)(F)C2)s1)C1CCC1
InChIInChI=1S/C12H14F2N2OS/c13-12(14)4-8(5-12)11-15-6-9(18-11)16-10(17)7-2-1-3-7/h6-8H,1-5H2,(H,16,17)
InChIKeyXVMOYQNASCFBML-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropanecarboxamide
CID 169320687
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
N-(4-methylthiophen-3-yl)cyclobutanecarboxamide
CID 130670865
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231
2-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)-1-methylcyclobutane-1-carboxamide
CID 162773608
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 155186410
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide (CID 162773619) is N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide is O=C(Nc1cnc(C2CC(F)(F)C2)s1)C1CCC1.
What is the InChIKey of N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide?
The InChIKey is XVMOYQNASCFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c13-12(14)4-8(5-12)11-15-6-9(18-11)16-10(17)7-2-1-3-7/h6-8H,1-5H2,(H,16,17).
What are the key properties of N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide?
N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide has a molecular weight of 272.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 162773619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).