N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide

C17H25N5OS — CID 91835494

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide
SMILESCC(Cc1cnccn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H25N5OS/c1-12(8-13-9-18-6-7-19-13)22(5)10-15(23)21-16-20-14(11-24-16)17(2,3)4/h6-7,9,11-12H,8,10H2,1-5H3,(H,20,21,23)
InChIKeyZSTOYRIQIWWULL-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.73
Rot. Bonds6

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide (PubChem CID 91835494) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide
PubChem CID91835494
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide
SMILESCC(Cc1cnccn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H25N5OS/c1-12(8-13-9-18-6-7-19-13)22(5)10-15(23)21-16-20-14(11-24-16)17(2,3)4/h6-7,9,11-12H,8,10H2,1-5H3,(H,20,21,23)
InChIKeyZSTOYRIQIWWULL-UHFFFAOYSA-N
XLogP2.73
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide (CID 91835494) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide is CC(Cc1cnccn1)N(C)CC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide?
The InChIKey is ZSTOYRIQIWWULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(8-13-9-18-6-7-19-13)22(5)10-15(23)21-16-20-14(11-24-16)17(2,3)4/h6-7,9,11-12H,8,10H2,1-5H3,(H,20,21,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide has a molecular weight of 347.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 91835494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).