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

C8H14N2OS — CID 103113162

IUPAC4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-6(2)3-9-4-7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyYTPMHGBLAMEYRK-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.18
Rot. Bonds4

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

4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 103113162) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID103113162
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-6(2)3-9-4-7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyYTPMHGBLAMEYRK-UHFFFAOYSA-N
XLogP1.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanenitrile
CID 106380988
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
N-methyl-1-(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
CID 68029738
4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
CID 119091330
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
3-[2-(Cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671965

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one (CID 103113162) is 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YTPMHGBLAMEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(2)3-9-4-7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).