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

C16H22N6OS — CID 77094920

IUPAC2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC2CCCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-3-18-16-20-11(2)14(24-16)15(23)21-12-5-4-8-22(10-12)13-9-17-6-7-19-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyCAVBQBADHVIGCO-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.07
Rot. Bonds5

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

2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 77094920) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID77094920
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NC2CCCN(c3cnccn3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-3-18-16-20-11(2)14(24-16)15(23)21-12-5-4-8-22(10-12)13-9-17-6-7-19-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyCAVBQBADHVIGCO-UHFFFAOYSA-N
XLogP2.07
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide (CID 77094920) is 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NC2CCCN(c3cnccn3)C2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CAVBQBADHVIGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-3-18-16-20-11(2)14(24-16)15(23)21-12-5-4-8-22(10-12)13-9-17-6-7-19-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,20)(H,21,23).
What are the key properties of 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).