4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide

C20H27N3OS2 — CID 35410995

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1nc(CSc2ccc(C(=O)NCCCN3CCCCC3)cc2)cs1
InChIInChI=1S/C20H27N3OS2/c1-16-22-18(14-25-16)15-26-19-8-6-17(7-9-19)20(24)21-10-5-13-23-11-3-2-4-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24)
InChIKeyFOXVVYZSLPQJOH-UHFFFAOYSA-N
MW389.59 g/mol
LogP4.35
Rot. Bonds8

About 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 35410995) has the molecular formula C20H27N3OS2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID35410995
Molecular FormulaC20H27N3OS2
Molecular Weight389.59 g/mol
Exact Mass389.16
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1nc(CSc2ccc(C(=O)NCCCN3CCCCC3)cc2)cs1
InChIInChI=1S/C20H27N3OS2/c1-16-22-18(14-25-16)15-26-19-8-6-17(7-9-19)20(24)21-10-5-13-23-11-3-2-4-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24)
InChIKeyFOXVVYZSLPQJOH-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392239
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
2-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241681
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-phenoxyethyl)benzamide
CID 134024182
N-[3-(aminomethyl)pentan-3-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119570008
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 143940582
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46512844
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 120944609
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46603301
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55512658
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624321

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide (CID 35410995) is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide is Cc1nc(CSc2ccc(C(=O)NCCCN3CCCCC3)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is FOXVVYZSLPQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS2/c1-16-22-18(14-25-16)15-26-19-8-6-17(7-9-19)20(24)21-10-5-13-23-11-3-2-4-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide?
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 389.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 35410995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).