2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide

C15H17N3O2S — CID 81395596

IUPAC2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H17N3O2S/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-15-17-11(8-21-15)9-6-7-9/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,18,19)
InChIKeyFMUAEQZAEZMQLV-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide

2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide (PubChem CID 81395596) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
PubChem CID81395596
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H17N3O2S/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-15-17-11(8-21-15)9-6-7-9/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,18,19)
InChIKeyFMUAEQZAEZMQLV-UHFFFAOYSA-N
XLogP3.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 32867568
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 32869689
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47426290
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513
2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
CID 81395055
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide (CID 81395596) is 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide?
The InChIKey is FMUAEQZAEZMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-20-12-5-3-4-10(16)13(12)14(19)18-15-17-11(8-21-15)9-6-7-9/h3-5,8-9H,2,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide?
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide has a molecular weight of 303.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide is sourced from PubChem (CID 81395596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).