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

C11H18N2OS — CID 48571573

IUPAC2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC)s1
InChIInChI=1S/C11H18N2OS/c1-5-9-12-7-8(15-9)10(14)13-11(3,4)6-2/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyUQQJFHLOBMBYCZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.62
Rot. Bonds4

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

2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 48571573) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID48571573
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC)s1
InChIInChI=1S/C11H18N2OS/c1-5-9-12-7-8(15-9)10(14)13-11(3,4)6-2/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyUQQJFHLOBMBYCZ-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47404403
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CID 47896370
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CID 49365409
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CID 53516078
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CID 53537720
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 48571573) is 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(C)(C)CC)s1.
What is the InChIKey of 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UQQJFHLOBMBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-5-9-12-7-8(15-9)10(14)13-11(3,4)6-2/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 2.62, 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-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).