3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide

C17H18N6OS — CID 129156581

IUPAC3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc2ncsc2c1
InChIInChI=1S/C17H18N6OS/c18-16(24)15-17(21-11-4-5-12-13(8-11)25-10-20-12)22-14(9-19-15)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2,(H2,18,24)(H,21,22)
InChIKeyNUJMGXNXCUPOIX-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.92
Rot. Bonds4

About 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide

3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 129156581) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID129156581
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc2ncsc2c1
InChIInChI=1S/C17H18N6OS/c18-16(24)15-17(21-11-4-5-12-13(8-11)25-10-20-12)22-14(9-19-15)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2,(H2,18,24)(H,21,22)
InChIKeyNUJMGXNXCUPOIX-UHFFFAOYSA-N
XLogP2.92
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide (CID 129156581) is 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc2ncsc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is NUJMGXNXCUPOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c18-16(24)15-17(21-11-4-5-12-13(8-11)25-10-20-12)22-14(9-19-15)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2,(H2,18,24)(H,21,22).
What are the key properties of 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide?
3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 129156581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).