N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide

C14H13N3O2S — CID 63312495

IUPACN-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCn1ccsc1=O
InChIInChI=1S/C14H13N3O2S/c15-10-11-4-1-2-5-12(11)16-13(18)6-3-7-17-8-9-20-14(17)19/h1-2,4-5,8-9H,3,6-7H2,(H,16,18)
InChIKeyDITGBMHXUPJVBP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.20
Rot. Bonds5

About N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide

N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 63312495) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID63312495
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCn1ccsc1=O
InChIInChI=1S/C14H13N3O2S/c15-10-11-4-1-2-5-12(11)16-13(18)6-3-7-17-8-9-20-14(17)19/h1-2,4-5,8-9H,3,6-7H2,(H,16,18)
InChIKeyDITGBMHXUPJVBP-UHFFFAOYSA-N
XLogP2.20
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312447
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172291
N-(2-aminophenyl)-4-(2-cyanopyrrol-1-yl)butanamide
CID 114650377
3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237268
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide (CID 63312495) is N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide is N#Cc1ccccc1NC(=O)CCCn1ccsc1=O.
What is the InChIKey of N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is DITGBMHXUPJVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-10-11-4-1-2-5-12(11)16-13(18)6-3-7-17-8-9-20-14(17)19/h1-2,4-5,8-9H,3,6-7H2,(H,16,18).
What are the key properties of N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 287.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 63312495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).