2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide

C15H25N3O2S — CID 51093442

IUPAC2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-9(2)7-10(12(19)16-6)18-13(20)11-8-17-14(21-11)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,19)(H,18,20)
InChIKeyIBHITOAYWDCRII-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.33
Rot. Bonds5

About 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 51093442) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID51093442
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-9(2)7-10(12(19)16-6)18-13(20)11-8-17-14(21-11)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,19)(H,18,20)
InChIKeyIBHITOAYWDCRII-UHFFFAOYSA-N
XLogP2.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97332688
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
5-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-3-carboxamide
CID 63860622
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
CID 71856841
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975741
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55908575
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 51954505

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide (CID 51093442) is 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IBHITOAYWDCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-9(2)7-10(12(19)16-6)18-13(20)11-8-17-14(21-11)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,19)(H,18,20).
What are the key properties of 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51093442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).