4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H22N4O2S — CID 59579922

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

About 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579922) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579922
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C16H22N4O2S/c1-5-10-12(14(22)19-9-11(21)16(2,3)4)23-15(20-10)13-17-7-6-8-18-13/h6-8,11,21H,5,9H2,1-4H3,(H,19,22)
InChIKeyDRVBTEYLBYCZSC-UHFFFAOYSA-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-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579922) is 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCC(O)C(C)(C)C.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DRVBTEYLBYCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-10-12(14(22)19-9-11(21)16(2,3)4)23-15(20-10)13-17-7-6-8-18-13/h6-8,11,21H,5,9H2,1-4H3,(H,19,22).
What are the key properties of 4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(2-hydroxy-3,3-dimethylbutyl)-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-(2-hydroxy-3,3-dimethylbutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).