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

C12H21N3OS — CID 115586443

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-5-14-10(16)7-13-6-9-8-17-11(15-9)12(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyZZUQANGMBISGCY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.67
Rot. Bonds5

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

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide (PubChem CID 115586443) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
PubChem CID115586443
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-5-14-10(16)7-13-6-9-8-17-11(15-9)12(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyZZUQANGMBISGCY-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.67
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-methylacetamide
CID 47285247
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
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
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
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
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
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-ethylacetamide?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide (CID 115586443) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide?
The InChIKey is ZZUQANGMBISGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-14-10(16)7-13-6-9-8-17-11(15-9)12(2,3)4/h8,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide has a molecular weight of 255.39 g/mol, XLogP of 1.67, 5 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-ethylacetamide is sourced from PubChem (CID 115586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).