N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide

C18H25N3OS — CID 8767147

IUPACN-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
SMILESCc1ccc(-c2nc(CN(C)CC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C18H25N3OS/c1-13-6-8-14(9-7-13)17-19-15(12-23-17)10-21(5)11-16(22)20-18(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,20,22)
InChIKeyXEMKZCQPSFPCEM-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.47
Rot. Bonds5

About N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide

N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide (PubChem CID 8767147) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
PubChem CID8767147
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
SMILESCc1ccc(-c2nc(CN(C)CC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C18H25N3OS/c1-13-6-8-14(9-7-13)17-19-15(12-23-17)10-21(5)11-16(22)20-18(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,20,22)
InChIKeyXEMKZCQPSFPCEM-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 43442512
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-methylacetamide
CID 78826678
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252968
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 62637791

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide (CID 8767147) is N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide is Cc1ccc(-c2nc(CN(C)CC(=O)NC(C)(C)C)cs2)cc1.
What is the InChIKey of N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide?
The InChIKey is XEMKZCQPSFPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-6-8-14(9-7-13)17-19-15(12-23-17)10-21(5)11-16(22)20-18(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide?
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 8767147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).