2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide

C11H19N3OS — CID 47285247

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)10-14-8(7-16-10)5-13-6-9(15)12-4/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyWRRGUFVDPSUWEQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.28
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide (PubChem CID 47285247) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
PubChem CID47285247
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)10-14-8(7-16-10)5-13-6-9(15)12-4/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyWRRGUFVDPSUWEQ-UHFFFAOYSA-N
XLogP1.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylethanone
CID 115586605
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529638
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide (CID 47285247) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide is CNC(=O)CNCc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide?
The InChIKey is WRRGUFVDPSUWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)10-14-8(7-16-10)5-13-6-9(15)12-4/h7,13H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide has a molecular weight of 241.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 47285247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).