N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C18H24ClN3O4S — CID 119679935

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CNCC3CCCO3)n2)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-23-12-5-6-16(24-2)14(8-12)15-11-26-18(20-15)21-17(22)10-19-9-13-4-3-7-25-13;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3,(H,20,21,22);1H
InChIKeyNRSJMJNXWLOBFM-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.96
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119679935) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119679935
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CNCC3CCCO3)n2)c1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-23-12-5-6-16(24-2)14(8-12)15-11-26-18(20-15)21-17(22)10-19-9-13-4-3-7-25-13;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3,(H,20,21,22);1H
InChIKeyNRSJMJNXWLOBFM-UHFFFAOYSA-N
XLogP2.96
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 24534944
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 26706118
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556954
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751506
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783542
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8873157
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119679935) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is COc1ccc(OC)c(-c2csc(NC(=O)CNCC3CCCO3)n2)c1.Cl.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is NRSJMJNXWLOBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-23-12-5-6-16(24-2)14(8-12)15-11-26-18(20-15)21-17(22)10-19-9-13-4-3-7-25-13;/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3,(H,20,21,22);1H.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119679935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).