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

C12H20N2OS — CID 49365409

IUPAC2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cnc(CC)s1
InChIInChI=1S/C12H20N2OS/c1-5-7-12(3,4)14-11(15)9-8-13-10(6-2)16-9/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyLBDFAWBACARMMT-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.01
Rot. Bonds5

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

2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 49365409) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID49365409
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cnc(CC)s1
InChIInChI=1S/C12H20N2OS/c1-5-7-12(3,4)14-11(15)9-8-13-10(6-2)16-9/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyLBDFAWBACARMMT-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.01
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-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide (CID 49365409) is 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is CCCC(C)(C)NC(=O)c1cnc(CC)s1.
What is the InChIKey of 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LBDFAWBACARMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-7-12(3,4)14-11(15)9-8-13-10(6-2)16-9/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).