4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride

C14H16ClN3O3S — CID 119268544

IUPAC4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C14H15N3O3S.ClH/c15-5-1-2-13(18)17-14-16-10(7-21-14)9-3-4-11-12(6-9)20-8-19-11;/h3-4,6-7H,1-2,5,8,15H2,(H,16,17,18);1H
InChIKeyKOXLXSZOXTVQBE-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride

4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride (PubChem CID 119268544) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
PubChem CID119268544
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C14H15N3O3S.ClH/c15-5-1-2-13(18)17-14-16-10(7-21-14)9-3-4-11-12(6-9)20-8-19-11;/h3-4,6-7H,1-2,5,8,15H2,(H,16,17,18);1H
InChIKeyKOXLXSZOXTVQBE-UHFFFAOYSA-N
XLogP2.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide
CID 127255198
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
CID 30728939
3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 18560861
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 18127703
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 30726086
4-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120918759
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-methylimidazol-4-yl)propanamide
CID 99794755
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55649839
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 7596889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride (CID 119268544) is 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride is Cl.NCCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
The InChIKey is KOXLXSZOXTVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S.ClH/c15-5-1-2-13(18)17-14-16-10(7-21-14)9-3-4-11-12(6-9)20-8-19-11;/h3-4,6-7H,1-2,5,8,15H2,(H,16,17,18);1H.
What are the key properties of 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride?
4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride has a molecular weight of 341.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119268544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).