3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide

C14H13N3O2S — CID 61033326

IUPAC3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1C#CCN
InChIInChI=1S/C14H13N3O2S/c1-19-12-5-4-11(9-10(12)3-2-6-15)13(18)17-14-16-7-8-20-14/h4-5,7-9H,6,15H2,1H3,(H,16,17,18)
InChIKeyGKRICRFUVLIALD-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.71
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide

3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 61033326) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID61033326
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1C#CCN
InChIInChI=1S/C14H13N3O2S/c1-19-12-5-4-11(9-10(12)3-2-6-15)13(18)17-14-16-7-8-20-14/h4-5,7-9H,6,15H2,1H3,(H,16,17,18)
InChIKeyGKRICRFUVLIALD-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
3-(3-aminoprop-1-ynyl)-4-methoxy-N',N'-dimethylbenzohydrazide
CID 83023217
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244337
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61033971
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 61034335
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60845136
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
3-(3-aminoprop-1-ynyl)-4-methoxy-N-methyl-N-pentan-3-ylbenzamide
CID 61034469
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 81118341
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 61033326) is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nccs2)cc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GKRICRFUVLIALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-5-4-11(9-10(12)3-2-6-15)13(18)17-14-16-7-8-20-14/h4-5,7-9H,6,15H2,1H3,(H,16,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide?
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61033326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).