3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide

C14H25N3OS — CID 103824326

IUPAC3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-13(2,3)12-17-8-10(19-12)7-16-9-14(4,5)11(18)15-6/h8,16H,7,9H2,1-6H3,(H,15,18)
InChIKeyJAKFUPDLQRULPC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.30
Rot. Bonds5

About 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide

3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824326) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824326
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-13(2,3)12-17-8-10(19-12)7-16-9-14(4,5)11(18)15-6/h8,16H,7,9H2,1-6H3,(H,15,18)
InChIKeyJAKFUPDLQRULPC-UHFFFAOYSA-N
XLogP2.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide (CID 103824326) is 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is JAKFUPDLQRULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-13(2,3)12-17-8-10(19-12)7-16-9-14(4,5)11(18)15-6/h8,16H,7,9H2,1-6H3,(H,15,18).
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 283.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).