N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide

C14H17N5OS — CID 95825863

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2nccnc2C2CCNCC2)s1
InChIInChI=1S/C14H17N5OS/c1-9-8-18-14(21-9)19-13(20)12-11(16-6-7-17-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20)
InChIKeyICUSVSSAERNBQX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.96
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide (PubChem CID 95825863) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide
PubChem CID95825863
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide
SMILESCc1cnc(NC(=O)c2nccnc2C2CCNCC2)s1
InChIInChI=1S/C14H17N5OS/c1-9-8-18-14(21-9)19-13(20)12-11(16-6-7-17-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20)
InChIKeyICUSVSSAERNBQX-UHFFFAOYSA-N
XLogP1.96
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide (CID 95825863) is N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide is Cc1cnc(NC(=O)c2nccnc2C2CCNCC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide?
The InChIKey is ICUSVSSAERNBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-8-18-14(21-9)19-13(20)12-11(16-6-7-17-12)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 95825863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).