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

C9H16N2OS — CID 106380386

IUPAC4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-3-7(2)4-10-5-8-6-13-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyRDSJZWKXUHNHJD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.57
Rot. Bonds5

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

4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380386) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380386
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2OS/c1-3-7(2)4-10-5-8-6-13-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyRDSJZWKXUHNHJD-UHFFFAOYSA-N
XLogP1.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-[2-(Tert-butylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671313
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
4-Methyl-3-[2-methyl-3-(propylamino)propyl]-1,3-thiazol-2-one
CID 64231465
4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
CID 64231688
3-[3-(Ethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-2-one
CID 64231690
4-[(Methylamino)methyl]-2,3-dihydro-1,3-thiazol-2-one
CID 81455987
4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one
CID 81463188
4-(ethylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463363
4-(propylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463456
4-[(propan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 81463457
3-(1-Amino-2-methylbutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82506171
4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one
CID 103113122

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380386) is 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one is CCC(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RDSJZWKXUHNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-7(2)4-10-5-8-6-13-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbutylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).