N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide

C14H12F2N4OS — CID 146490022

IUPACN-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide
SMILESO=CNc1csc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C14H12F2N4OS/c15-14(16)9-4-20(5-10(9)14)12-2-1-8(3-17-12)13-19-11(6-22-13)18-7-21/h1-3,6-7,9-10H,4-5H2,(H,18,21)
InChIKeyLYADKZZKBMIHAH-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.47
Rot. Bonds4

About N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide

N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide (PubChem CID 146490022) has the molecular formula C14H12F2N4OS and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide
PubChem CID146490022
Molecular FormulaC14H12F2N4OS
Molecular Weight322.34 g/mol
Exact Mass322.07
IUPAC NameN-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide
SMILESO=CNc1csc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C14H12F2N4OS/c15-14(16)9-4-20(5-10(9)14)12-2-1-8(3-17-12)13-19-11(6-22-13)18-7-21/h1-3,6-7,9-10H,4-5H2,(H,18,21)
InChIKeyLYADKZZKBMIHAH-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide?
The IUPAC name of N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide (CID 146490022) is N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide.
What is the SMILES notation for N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide?
The canonical SMILES for N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide is O=CNc1csc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.
What is the InChIKey of N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide?
The InChIKey is LYADKZZKBMIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4OS/c15-14(16)9-4-20(5-10(9)14)12-2-1-8(3-17-12)13-19-11(6-22-13)18-7-21/h1-3,6-7,9-10H,4-5H2,(H,18,21).
What are the key properties of N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide?
N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide has a molecular weight of 322.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]formamide is sourced from PubChem (CID 146490022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).