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

C19H26N4OS — CID 59579928

IUPAC4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C19H26N4OS/c1-5-14-15(25-18(23-14)16-20-7-6-8-21-16)17(24)22-13-9-12(2)10-19(3,4)11-13/h6-8,12-13H,5,9-11H2,1-4H3,(H,22,24)
InChIKeyJJGWBEBVGCKSCU-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.11
Rot. Bonds4

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

4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide (PubChem CID 59579928) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide
PubChem CID59579928
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C19H26N4OS/c1-5-14-15(25-18(23-14)16-20-7-6-8-21-16)17(24)22-13-9-12(2)10-19(3,4)11-13/h6-8,12-13H,5,9-11H2,1-4H3,(H,22,24)
InChIKeyJJGWBEBVGCKSCU-UHFFFAOYSA-N
XLogP4.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide (CID 59579928) is 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JJGWBEBVGCKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-5-14-15(25-18(23-14)16-20-7-6-8-21-16)17(24)22-13-9-12(2)10-19(3,4)11-13/h6-8,12-13H,5,9-11H2,1-4H3,(H,22,24).
What are the key properties of 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide?
4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyrimidin-2-yl-N-(3,3,5-trimethylcyclohexyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).