4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C12H17N3OS2 — CID 106380837

IUPAC4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)c1csc(CNCc2csc(=O)[nH]2)n1
InChIInChI=1S/C12H17N3OS2/c1-12(2,3)9-7-17-10(15-9)5-13-4-8-6-18-11(16)14-8/h6-7,13H,4-5H2,1-3H3,(H,14,16)
InChIKeyADAUMTAHTPYXOW-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.48
Rot. Bonds4

About 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380837) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380837
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)c1csc(CNCc2csc(=O)[nH]2)n1
InChIInChI=1S/C12H17N3OS2/c1-12(2,3)9-7-17-10(15-9)5-13-4-8-6-18-11(16)14-8/h6-7,13H,4-5H2,1-3H3,(H,14,16)
InChIKeyADAUMTAHTPYXOW-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 78943710
1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78943718
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380259
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 78943713
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-chloropentan-1-amine
CID 107319889
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380837) is 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC(C)(C)c1csc(CNCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ADAUMTAHTPYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-12(2,3)9-7-17-10(15-9)5-13-4-8-6-18-11(16)14-8/h6-7,13H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 283.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).