N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C20H25N3OS2 — CID 45196984

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1
InChIInChI=1S/C20H25N3OS2/c1-14-12-25-20(21-14)26-13-19(24)22-17-7-4-8-23(11-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,12,17-18H,4,7-11,13H2,1H3,(H,22,24)
InChIKeyICDYYRZEQDGDAL-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 45196984) has the molecular formula C20H25N3OS2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID45196984
Molecular FormulaC20H25N3OS2
Molecular Weight387.57 g/mol
Exact Mass387.14
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1
InChIInChI=1S/C20H25N3OS2/c1-14-12-25-20(21-14)26-13-19(24)22-17-7-4-8-23(11-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,12,17-18H,4,7-11,13H2,1H3,(H,22,24)
InChIKeyICDYYRZEQDGDAL-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 25491989
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499903
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 25295085
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2823503
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3952616
methyl (3S)-2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8894364

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 45196984) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ICDYYRZEQDGDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS2/c1-14-12-25-20(21-14)26-13-19(24)22-17-7-4-8-23(11-17)18-9-15-5-2-3-6-16(15)10-18/h2-3,5-6,12,17-18H,4,7-11,13H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.57 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 45196984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).