3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C15H23N3OS — CID 62210273

IUPAC3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCC1CCCCN1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H23N3OS/c19-14(9-8-11-5-3-4-10-16-11)18-15-17-12-6-1-2-7-13(12)20-15/h11,16H,1-10H2,(H,17,18,19)
InChIKeyUNZMZXWALONTGI-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.88
Rot. Bonds4

About 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 62210273) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID62210273
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCC1CCCCN1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H23N3OS/c19-14(9-8-11-5-3-4-10-16-11)18-15-17-12-6-1-2-7-13(12)20-15/h11,16H,1-10H2,(H,17,18,19)
InChIKeyUNZMZXWALONTGI-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119743833
3-cyclohexyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 3626009
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119937540
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
2-(4-aminopiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 79328104
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
CID 51548054
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 62210273) is 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is O=C(CCC1CCCCN1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is UNZMZXWALONTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-14(9-8-11-5-3-4-10-16-11)18-15-17-12-6-1-2-7-13(12)20-15/h11,16H,1-10H2,(H,17,18,19).
What are the key properties of 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 293.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 62210273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).