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

C18H17N3OS — CID 6487931

IUPACN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-4-17(22)20-15-8-6-13(7-9-15)16-12-23-18(21-16)14-5-3-10-19-11-14/h3,5-12H,2,4H2,1H3,(H,20,22)
InChIKeyOZCLEIIQMZNUKA-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.61
Rot. Bonds5

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

N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 6487931) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID6487931
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-4-17(22)20-15-8-6-13(7-9-15)16-12-23-18(21-16)14-5-3-10-19-11-14/h3,5-12H,2,4H2,1H3,(H,20,22)
InChIKeyOZCLEIIQMZNUKA-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 6487931) is N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is OZCLEIIQMZNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-4-17(22)20-15-8-6-13(7-9-15)16-12-23-18(21-16)14-5-3-10-19-11-14/h3,5-12H,2,4H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide?
N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 323.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 6487931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).