1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide

C15H17N3O2S — CID 121128670

IUPAC1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(c2nc3cc(OC)ccc3s2)C1
InChIInChI=1S/C15H17N3O2S/c1-3-6-16-14(19)10-8-18(9-10)15-17-12-7-11(20-2)4-5-13(12)21-15/h3-5,7,10H,1,6,8-9H2,2H3,(H,16,19)
InChIKeySYJFQHPLEDZEEC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.04
Rot. Bonds5

About 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide (PubChem CID 121128670) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
PubChem CID121128670
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(c2nc3cc(OC)ccc3s2)C1
InChIInChI=1S/C15H17N3O2S/c1-3-6-16-14(19)10-8-18(9-10)15-17-12-7-11(20-2)4-5-13(12)21-15/h3-5,7,10H,1,6,8-9H2,2H3,(H,16,19)
InChIKeySYJFQHPLEDZEEC-UHFFFAOYSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)azetidine-3-carboxamide
CID 121128671
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 121128686
N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128838
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604201
N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128713
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
CID 121128707
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799
N-(2,4-dimethylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128766
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90604215
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide (CID 121128670) is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide is C=CCNC(=O)C1CN(c2nc3cc(OC)ccc3s2)C1.
What is the InChIKey of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide?
The InChIKey is SYJFQHPLEDZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-6-16-14(19)10-8-18(9-10)15-17-12-7-11(20-2)4-5-13(12)21-15/h3-5,7,10H,1,6,8-9H2,2H3,(H,16,19).
What are the key properties of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide?
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide is sourced from PubChem (CID 121128670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).