2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

C20H27N3OS2 — CID 25491989

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCc1csc(SCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H27N3OS2/c1-16-14-25-20(21-16)26-15-19(24)22-18-10-6-12-23(13-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14,18H,5-6,9-13,15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyADIANNWZRIGMAQ-SFHVURJKSA-N
MW389.59 g/mol
LogP3.76
Rot. Bonds8

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (PubChem CID 25491989) has the molecular formula C20H27N3OS2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
PubChem CID25491989
Molecular FormulaC20H27N3OS2
Molecular Weight389.59 g/mol
Exact Mass389.16
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCc1csc(SCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H27N3OS2/c1-16-14-25-20(21-16)26-15-19(24)22-18-10-6-12-23(13-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14,18H,5-6,9-13,15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyADIANNWZRIGMAQ-SFHVURJKSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 45196984
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 136917886
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (CID 25491989) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is Cc1csc(SCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The InChIKey is ADIANNWZRIGMAQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3OS2/c1-16-14-25-20(21-16)26-15-19(24)22-18-10-6-12-23(13-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14,18H,5-6,9-13,15H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide has a molecular weight of 389.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 25491989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).