3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C17H17N3O2S2 — CID 110502865

IUPAC3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1N
InChIInChI=1S/C17H17N3O2S2/c1-2-7-22-14-6-5-11(9-12(14)18)16(21)20-17-19-13(10-24-17)15-4-3-8-23-15/h3-6,8-10H,2,7,18H2,1H3,(H,19,20,21)
InChIKeyLEWMMVYPURFJRC-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.49
Rot. Bonds6

About 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 110502865) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID110502865
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1N
InChIInChI=1S/C17H17N3O2S2/c1-2-7-22-14-6-5-11(9-12(14)18)16(21)20-17-19-13(10-24-17)15-4-3-8-23-15/h3-6,8-10H,2,7,18H2,1H3,(H,19,20,21)
InChIKeyLEWMMVYPURFJRC-UHFFFAOYSA-N
XLogP4.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-propoxybenzamide
CID 55373062
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-formyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 162691706
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-nitro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 162691697
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 86809667

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 110502865) is 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CCCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1N.
What is the InChIKey of 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LEWMMVYPURFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-2-7-22-14-6-5-11(9-12(14)18)16(21)20-17-19-13(10-24-17)15-4-3-8-23-15/h3-6,8-10H,2,7,18H2,1H3,(H,19,20,21).
What are the key properties of 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 359.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110502865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).