2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C16H18N6OS2 — CID 91761119

IUPAC2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCc2csc(-c3cnccn3)n2)s1
InChIInChI=1S/C16H18N6OS2/c1-3-18-16-21-10(2)13(25-16)14(23)20-5-4-11-9-24-15(22-11)12-8-17-6-7-19-12/h6-9H,3-5H2,1-2H3,(H,18,21)(H,20,23)
InChIKeyWKTGRWZDLHTCPA-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.77
Rot. Bonds7

About 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 91761119) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID91761119
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC Name2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCc2csc(-c3cnccn3)n2)s1
InChIInChI=1S/C16H18N6OS2/c1-3-18-16-21-10(2)13(25-16)14(23)20-5-4-11-9-24-15(22-11)12-8-17-6-7-19-12/h6-9H,3-5H2,1-2H3,(H,18,21)(H,20,23)
InChIKeyWKTGRWZDLHTCPA-UHFFFAOYSA-N
XLogP2.77
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 91761119) is 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NCCc2csc(-c3cnccn3)n2)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WKTGRWZDLHTCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-3-18-16-21-10(2)13(25-16)14(23)20-5-4-11-9-24-15(22-11)12-8-17-6-7-19-12/h6-9H,3-5H2,1-2H3,(H,18,21)(H,20,23).
What are the key properties of 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91761119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).