N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide

C18H15N3OS — CID 108748401

IUPACN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)C1CC1
InChIInChI=1S/C18H15N3OS/c22-17(12-7-8-12)20-14-5-3-4-13(10-14)16-11-23-18(21-16)15-6-1-2-9-19-15/h1-6,9-12H,7-8H2,(H,20,22)
InChIKeyUEXDRCIOKZLOTA-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.22
Rot. Bonds4

About N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 108748401) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID108748401
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)C1CC1
InChIInChI=1S/C18H15N3OS/c22-17(12-7-8-12)20-14-5-3-4-13(10-14)16-11-23-18(21-16)15-6-1-2-9-19-15/h1-6,9-12H,7-8H2,(H,20,22)
InChIKeyUEXDRCIOKZLOTA-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
1-(4-butylphenyl)-5-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108770425
N-[3-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173855
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 42765483

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide (CID 108748401) is N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)C1CC1.
What is the InChIKey of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is UEXDRCIOKZLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(12-7-8-12)20-14-5-3-4-13(10-14)16-11-23-18(21-16)15-6-1-2-9-19-15/h1-6,9-12H,7-8H2,(H,20,22).
What are the key properties of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide?
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 321.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 108748401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).