N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide

C12H9ClFN3OS — CID 134438720

IUPACN-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)c(-c2ncc(F)s2)cn1)C1CC1
InChIInChI=1S/C12H9ClFN3OS/c13-8-3-10(17-11(18)6-1-2-6)15-4-7(8)12-16-5-9(14)19-12/h3-6H,1-2H2,(H,15,17,18)
InChIKeyUQHYBCNSBOJZPB-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.35
Rot. Bonds3

About N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134438720) has the molecular formula C12H9ClFN3OS and a molecular weight of 297.74 g/mol. Its IUPAC name is N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID134438720
Molecular FormulaC12H9ClFN3OS
Molecular Weight297.74 g/mol
Exact Mass297.01
IUPAC NameN-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)c(-c2ncc(F)s2)cn1)C1CC1
InChIInChI=1S/C12H9ClFN3OS/c13-8-3-10(17-11(18)6-1-2-6)15-4-7(8)12-16-5-9(14)19-12/h3-6H,1-2H2,(H,15,17,18)
InChIKeyUQHYBCNSBOJZPB-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 134438720) is N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(Cl)c(-c2ncc(F)s2)cn1)C1CC1.
What is the InChIKey of N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UQHYBCNSBOJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3OS/c13-8-3-10(17-11(18)6-1-2-6)15-4-7(8)12-16-5-9(14)19-12/h3-6H,1-2H2,(H,15,17,18).
What are the key properties of N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 297.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(5-fluoro-1,3-thiazol-2-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134438720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).