5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

C15H15N3O2S — CID 106383206

IUPAC5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-4-5-11(3-2-6-16)7-13(10)14(19)17-8-12-9-21-15(20)18-12/h4-5,7,9H,6,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyCDHKOCJRBMBUDO-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.99
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 106383206) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID106383206
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-4-5-11(3-2-6-16)7-13(10)14(19)17-8-12-9-21-15(20)18-12/h4-5,7,9H,6,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyCDHKOCJRBMBUDO-UHFFFAOYSA-N
XLogP0.99
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide with MolForge

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Related Compounds

3-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383203
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(3-aminoprop-1-ynyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 65310134
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383210
5-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586292
2-bromo-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 113341004
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
5-(3-aminoprop-1-ynyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 65310832
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383388
5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 106383206) is 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is Cc1ccc(C#CCN)cc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is CDHKOCJRBMBUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-4-5-11(3-2-6-16)7-13(10)14(19)17-8-12-9-21-15(20)18-12/h4-5,7,9H,6,8,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 301.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 106383206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).