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

C12H20N2OS — CID 49317011

IUPAC2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)(C)CC)s1
InChIInChI=1S/C12H20N2OS/c1-6-9-13-8(3)10(16-9)11(15)14-12(4,5)7-2/h6-7H2,1-5H3,(H,14,15)
InChIKeyVLOHFRUFBNVUPG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.93
Rot. Bonds4

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

2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 49317011) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID49317011
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)(C)CC)s1
InChIInChI=1S/C12H20N2OS/c1-6-9-13-8(3)10(16-9)11(15)14-12(4,5)7-2/h6-7H2,1-5H3,(H,14,15)
InChIKeyVLOHFRUFBNVUPG-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxamide
CID 45819410
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
2-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 49506769
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49507163
2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 51075868
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501465
4-methyl-N-(2-piperidin-1-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53501831
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53504150
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53505856
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53535143
Azetidin-1-yl-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 60231547
2-Cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 71926380

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 49317011) is 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(C)(C)CC)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VLOHFRUFBNVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-6-9-13-8(3)10(16-9)11(15)14-12(4,5)7-2/h6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49317011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).