N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C19H27N3OS — CID 119597606

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C19H27N3OS/c1-13(2)11-19(4,12-20)22-18(23)17-14(3)21-16(24-17)10-15-8-6-5-7-9-15/h5-9,13H,10-12,20H2,1-4H3,(H,22,23)
InChIKeyQSNUGYQVWNYUCZ-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.54
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119597606) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119597606
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C19H27N3OS/c1-13(2)11-19(4,12-20)22-18(23)17-14(3)21-16(24-17)10-15-8-6-5-7-9-15/h5-9,13H,10-12,20H2,1-4H3,(H,22,23)
InChIKeyQSNUGYQVWNYUCZ-UHFFFAOYSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]-2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 100644918
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119521585
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119598676
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187590
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 119597606) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QSNUGYQVWNYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-13(2)11-19(4,12-20)22-18(23)17-14(3)21-16(24-17)10-15-8-6-5-7-9-15/h5-9,13H,10-12,20H2,1-4H3,(H,22,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119597606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).