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

C10H18N2OS — CID 106380659

IUPAC4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-8(2)4-3-5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyUUAAXJVZIOAFPQ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.96
Rot. Bonds6

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

4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380659) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380659
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-8(2)4-3-5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyUUAAXJVZIOAFPQ-UHFFFAOYSA-N
XLogP1.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide
CID 78853102
3-(1-Amino-2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 82508536
4-(1-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
CID 103113117
4-(1-amino-2-methylbutyl)-3H-1,3-thiazol-2-one
CID 103113129
4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113162
2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 103950574
(2S)-2-amino-4-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 103950583
4,4-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106379618
4-[(cyclobutylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379619
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379622
4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379645

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380659) is 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)CCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UUAAXJVZIOAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)4-3-5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpentylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).