1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide

C14H17N3OS — CID 90603975

IUPAC1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(c2nc3ccccc3s2)C1
InChIInChI=1S/C14H17N3OS/c1-2-7-15-13(18)10-8-17(9-10)14-16-11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3,(H,15,18)
InChIKeyMRWUQMYDRIMBKZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.26
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide (PubChem CID 90603975) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
PubChem CID90603975
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
SMILESCCCNC(=O)C1CN(c2nc3ccccc3s2)C1
InChIInChI=1S/C14H17N3OS/c1-2-7-15-13(18)10-8-17(9-10)14-16-11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3,(H,15,18)
InChIKeyMRWUQMYDRIMBKZ-UHFFFAOYSA-N
XLogP2.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90603999
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide
CID 52907998
1-(6-methyl-1,3-benzothiazol-2-yl)-N-pentylazetidine-3-carboxamide
CID 121128178
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
1-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604133
1-(1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604098
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylphenyl)azetidine-3-carboxamide
CID 52908004
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide (CID 90603975) is 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide is CCCNC(=O)C1CN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide?
The InChIKey is MRWUQMYDRIMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-15-13(18)10-8-17(9-10)14-16-11-5-3-4-6-12(11)19-14/h3-6,10H,2,7-9H2,1H3,(H,15,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide is sourced from PubChem (CID 90603975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).