4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide

C15H19N3O3S — CID 92944336

IUPAC4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCCN)n2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-6-5-10(8-13(12)21-2)11-9-22-15(17-11)18-14(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,18,19)
InChIKeyUFSAEMRQWIHUTH-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.50
Rot. Bonds7

About 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 92944336) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID92944336
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCCN)n2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-6-5-10(8-13(12)21-2)11-9-22-15(17-11)18-14(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,18,19)
InChIKeyUFSAEMRQWIHUTH-UHFFFAOYSA-N
XLogP2.50
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 18585602
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19202859
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55601562

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 92944336) is 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide is COc1ccc(-c2csc(NC(=O)CCCN)n2)cc1OC.
What is the InChIKey of 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is UFSAEMRQWIHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-12-6-5-10(8-13(12)21-2)11-9-22-15(17-11)18-14(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 321.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 92944336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).