N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide

C18H21N3O3S — CID 108730853

IUPACN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)C(NC(C)=O)CCO3)cs1
InChIInChI=1S/C18H21N3O3S/c1-3-4-17(23)21-18-20-15(10-25-18)12-5-6-16-13(9-12)14(7-8-24-16)19-11(2)22/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyJDTYYGCGFZJMFG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 108730853) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID108730853
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)C(NC(C)=O)CCO3)cs1
InChIInChI=1S/C18H21N3O3S/c1-3-4-17(23)21-18-20-15(10-25-18)12-5-6-16-13(9-12)14(7-8-24-16)19-11(2)22/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyJDTYYGCGFZJMFG-UHFFFAOYSA-N
XLogP3.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108730881
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
CID 108811014
(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 108730820
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108730891
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 108730865
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 108730868

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide (CID 108730853) is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc3c(c2)C(NC(C)=O)CCO3)cs1.
What is the InChIKey of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is JDTYYGCGFZJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-4-17(23)21-18-20-15(10-25-18)12-5-6-16-13(9-12)14(7-8-24-16)19-11(2)22/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 359.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 108730853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).