4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 154781669

IUPAC4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCOC2)sc1C(=O)Nc1nccnc1C(C)C
InChIInChI=1S/C16H20N4O2S/c1-9(2)12-14(18-6-5-17-12)20-15(21)13-10(3)19-16(23-13)11-4-7-22-8-11/h5-6,9,11H,4,7-8H2,1-3H3,(H,18,20,21)
InChIKeyRHLJKKPTVXPDGI-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.12
Rot. Bonds4

About 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide

4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 154781669) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID154781669
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCOC2)sc1C(=O)Nc1nccnc1C(C)C
InChIInChI=1S/C16H20N4O2S/c1-9(2)12-14(18-6-5-17-12)20-15(21)13-10(3)19-16(23-13)11-4-7-22-8-11/h5-6,9,11H,4,7-8H2,1-3H3,(H,18,20,21)
InChIKeyRHLJKKPTVXPDGI-UHFFFAOYSA-N
XLogP3.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide (CID 154781669) is 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C2CCOC2)sc1C(=O)Nc1nccnc1C(C)C.
What is the InChIKey of 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RHLJKKPTVXPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9(2)12-14(18-6-5-17-12)20-15(21)13-10(3)19-16(23-13)11-4-7-22-8-11/h5-6,9,11H,4,7-8H2,1-3H3,(H,18,20,21).
What are the key properties of 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154781669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).