4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C9H16N2OS — CID 106380474

IUPAC4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-6(2)7(3)10-4-8-5-13-9(12)11-8/h5-7,10H,4H2,1-3H3,(H,11,12)
InChIKeyQKKRFHDGLKLGHX-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.57
Rot. Bonds4

About 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380474) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380474
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-6(2)7(3)10-4-8-5-13-9(12)11-8/h5-7,10H,4H2,1-3H3,(H,11,12)
InChIKeyQKKRFHDGLKLGHX-UHFFFAOYSA-N
XLogP1.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380378
N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 114181405
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181273
N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380803
4-[[(3-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381822
4-[[1-(2,4-dibromophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379927

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380474) is 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QKKRFHDGLKLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)7(3)10-4-8-5-13-9(12)11-8/h5-7,10H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).