N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

C12H18N4O2S2 — CID 166662336

IUPACN-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)CSc1cnc(NC(=O)C2CCNCC2)s1
InChIInChI=1S/C12H18N4O2S2/c1-13-9(17)7-19-10-6-15-12(20-10)16-11(18)8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,16,18)
InChIKeyOASJYTSTJBRJLM-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.92
Rot. Bonds5

About N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 166662336) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID166662336
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)CSc1cnc(NC(=O)C2CCNCC2)s1
InChIInChI=1S/C12H18N4O2S2/c1-13-9(17)7-19-10-6-15-12(20-10)16-11(18)8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,16,18)
InChIKeyOASJYTSTJBRJLM-UHFFFAOYSA-N
XLogP0.92
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 89317200
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 164531382
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
tert-butyl 4-[[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]piperidin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 160735759
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 170952739
4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 139951763
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22971369
2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569
N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane
CID 91601013

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 166662336) is N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is CNC(=O)CSc1cnc(NC(=O)C2CCNCC2)s1.
What is the InChIKey of N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OASJYTSTJBRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-13-9(17)7-19-10-6-15-12(20-10)16-11(18)8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,16,18).
What are the key properties of N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 166662336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).