4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H22N4O2S — CID 59579895

IUPAC4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C16H22N4O2S/c1-5-10-12(14(22)20-11(9-21)16(2,3)4)23-15(19-10)13-17-7-6-8-18-13/h6-8,11,21H,5,9H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyHQWQGELENDLGBR-LLVKDONJSA-N
MW334.45 g/mol
LogP2.30
Rot. Bonds5

About 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579895) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579895
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C16H22N4O2S/c1-5-10-12(14(22)20-11(9-21)16(2,3)4)23-15(19-10)13-17-7-6-8-18-13/h6-8,11,21H,5,9H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyHQWQGELENDLGBR-LLVKDONJSA-N
XLogP2.30
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579895) is 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HQWQGELENDLGBR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-10-12(14(22)20-11(9-21)16(2,3)4)23-15(19-10)13-17-7-6-8-18-13/h6-8,11,21H,5,9H2,1-4H3,(H,20,22)/t11-/m1/s1.
What are the key properties of 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).