4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C16H20N4OS2 — CID 46991492

IUPAC4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Sc3ccccc3C)CC2)n1
InChIInChI=1S/C16H20N4OS2/c1-11-5-3-4-6-14(11)22-13-7-9-20(10-8-13)16(21)18-15-17-12(2)19-23-15/h3-6,13H,7-10H2,1-2H3,(H,17,18,19,21)
InChIKeyNGDMJBXVKFNTGH-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.94
Rot. Bonds3

About 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46991492) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46991492
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Sc3ccccc3C)CC2)n1
InChIInChI=1S/C16H20N4OS2/c1-11-5-3-4-6-14(11)22-13-7-9-20(10-8-13)16(21)18-15-17-12(2)19-23-15/h3-6,13H,7-10H2,1-2H3,(H,17,18,19,21)
InChIKeyNGDMJBXVKFNTGH-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999278
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
(3S)-3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25369435
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]propan-1-one;hydrochloride
CID 154915897
1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122086950
3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 70747663
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70783053

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46991492) is 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(Sc3ccccc3C)CC2)n1.
What is the InChIKey of 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is NGDMJBXVKFNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-11-5-3-4-6-14(11)22-13-7-9-20(10-8-13)16(21)18-15-17-12(2)19-23-15/h3-6,13H,7-10H2,1-2H3,(H,17,18,19,21).
What are the key properties of 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46991492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).