N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide

C14H14N2O2S — CID 4583212

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C14H14N2O2S/c1-2-5-12(17)15-14-16-13-9-6-3-4-7-10(9)18-8-11(13)19-14/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17)
InChIKeyVXXHIIUVQMGUMI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.44
Rot. Bonds3

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide (PubChem CID 4583212) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide
PubChem CID4583212
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C14H14N2O2S/c1-2-5-12(17)15-14-16-13-9-6-3-4-7-10(9)18-8-11(13)19-14/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17)
InChIKeyVXXHIIUVQMGUMI-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide (CID 4583212) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide is CCCC(=O)Nc1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide?
The InChIKey is VXXHIIUVQMGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-5-12(17)15-14-16-13-9-6-3-4-7-10(9)18-8-11(13)19-14/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide has a molecular weight of 274.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butanamide is sourced from PubChem (CID 4583212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).