2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 110100872

IUPAC2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC1(c2ncc(C(N)=O)s2)CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17N5OS/c1-14(13-18-8-10(21-13)12(15)20)2-6-19(7-3-14)11-9-16-4-5-17-11/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,20)
InChIKeyCIXCOBSMXUTXKO-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 110100872) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID110100872
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC1(c2ncc(C(N)=O)s2)CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17N5OS/c1-14(13-18-8-10(21-13)12(15)20)2-6-19(7-3-14)11-9-16-4-5-17-11/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,20)
InChIKeyCIXCOBSMXUTXKO-UHFFFAOYSA-N
XLogP1.59
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methoxyacetyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 110100878
3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 110100727
2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 124976249
ethane;methyl 2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylate
CID 144668787
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
4-pyrazin-2-ylthiomorpholine
CID 131156249
(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
CID 125173162
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-(3-methylthiolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115037371
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 110100872) is 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CC1(c2ncc(C(N)=O)s2)CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CIXCOBSMXUTXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-14(13-18-8-10(21-13)12(15)20)2-6-19(7-3-14)11-9-16-4-5-17-11/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,20).
What are the key properties of 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110100872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).