4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C13H19N3O2S2 — CID 49362488

IUPAC4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCSCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C13H19N3O2S2/c1-9-12(20-8-14-9)13(18)15-10-3-5-16(6-4-10)11(17)7-19-2/h8,10H,3-7H2,1-2H3,(H,15,18)
InChIKeyDAIDOVAUZHZQBQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.54
Rot. Bonds4

About 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 49362488) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID49362488
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCSCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C13H19N3O2S2/c1-9-12(20-8-14-9)13(18)15-10-3-5-16(6-4-10)11(17)7-19-2/h8,10H,3-7H2,1-2H3,(H,15,18)
InChIKeyDAIDOVAUZHZQBQ-UHFFFAOYSA-N
XLogP1.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60607390
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110248469
N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449071
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51100554
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449075
4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448670
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488
4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
CID 92634449
4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 49460558
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111211889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 49362488) is 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CSCC(=O)N1CCC(NC(=O)c2scnc2C)CC1.
What is the InChIKey of 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DAIDOVAUZHZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-9-12(20-8-14-9)13(18)15-10-3-5-16(6-4-10)11(17)7-19-2/h8,10H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49362488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).