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

C14H24N2OS — CID 48574988

IUPAC2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-7-11-15-8-10(18-11)12(17)16-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H,16,17)
InChIKeyUXFQRLNXKRNHNO-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.65
Rot. Bonds4

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

2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 48574988) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID48574988
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-7-11-15-8-10(18-11)12(17)16-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H,16,17)
InChIKeyUXFQRLNXKRNHNO-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide (CID 48574988) is 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(C)(C)CC(C)(C)C)s1.
What is the InChIKey of 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UXFQRLNXKRNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-7-11-15-8-10(18-11)12(17)16-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H,16,17).
What are the key properties of 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).