3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C15H19N3O2S — CID 60842453

IUPAC3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCNC3CC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-2-20-11-5-6-12-13(9-11)21-15(17-12)18-14(19)7-8-16-10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyVHSWBMFEQSDZSQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds7

About 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 60842453) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID60842453
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCNC3CC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-2-20-11-5-6-12-13(9-11)21-15(17-12)18-14(19)7-8-16-10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,18,19)
InChIKeyVHSWBMFEQSDZSQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 17404886
6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 78799553
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154199
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (CID 60842453) is 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is CCOc1ccc2nc(NC(=O)CCNC3CC3)sc2c1.
What is the InChIKey of 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is VHSWBMFEQSDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-20-11-5-6-12-13(9-11)21-15(17-12)18-14(19)7-8-16-10-3-4-10/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 60842453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).