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

C15H15N5OS2 — CID 50974374

IUPAC2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2csc(-c3ncccn3)n2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-11-19-9(2)12(23-11)14(21)18-7-10-8-22-15(20-10)13-16-5-4-6-17-13/h4-6,8H,3,7H2,1-2H3,(H,18,21)
InChIKeyYCYQUQIMGMTQGQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.86
Rot. Bonds5

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

2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 50974374) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID50974374
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2csc(-c3ncccn3)n2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-11-19-9(2)12(23-11)14(21)18-7-10-8-22-15(20-10)13-16-5-4-6-17-13/h4-6,8H,3,7H2,1-2H3,(H,18,21)
InChIKeyYCYQUQIMGMTQGQ-UHFFFAOYSA-N
XLogP2.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 50974374) is 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2csc(-c3ncccn3)n2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YCYQUQIMGMTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-3-11-19-9(2)12(23-11)14(21)18-7-10-8-22-15(20-10)13-16-5-4-6-17-13/h4-6,8H,3,7H2,1-2H3,(H,18,21).
What are the key properties of 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50974374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).