4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one

C8H14N2OS — CID 103113123

IUPAC4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-8(2,3)9-4-6-5-12-7(11)10-6/h5,9H,4H2,1-3H3,(H,10,11)
InChIKeyASXVLTPLAVPPSG-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.32
Rot. Bonds2

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

4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 103113123) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID103113123
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-8(2,3)9-4-6-5-12-7(11)10-6/h5,9H,4H2,1-3H3,(H,10,11)
InChIKeyASXVLTPLAVPPSG-UHFFFAOYSA-N
XLogP1.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one (CID 103113123) is 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ASXVLTPLAVPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(2,3)9-4-6-5-12-7(11)10-6/h5,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).