4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one

C8H14N2OS — CID 103113127

IUPAC4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
SMILESCC(C)C(N)Cc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(9)3-6-4-12-8(11)10-6/h4-5,7H,3,9H2,1-2H3,(H,10,11)
InChIKeyNIHQWOKYROMGNU-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.96
Rot. Bonds3

About 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one

4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one (PubChem CID 103113127) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
PubChem CID103113127
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
SMILESCC(C)C(N)Cc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(9)3-6-4-12-8(11)10-6/h4-5,7H,3,9H2,1-2H3,(H,10,11)
InChIKeyNIHQWOKYROMGNU-UHFFFAOYSA-N
XLogP0.96
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexan-3-yl-3H-1,3-thiazol-2-one
CID 123946948
N-[(Z)-3-methyl-7-(methylamino)-1-methylsulfanylhept-1-en-2-yl]formamide
CID 156121476
4-(1-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
CID 103113117
4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one
CID 103113122
4-(2-aminobutyl)-3H-1,3-thiazol-2-one
CID 103113124
4-(1-aminopentan-2-yl)-3H-1,3-thiazol-2-one
CID 103113128
4-(1-amino-2-methylbutyl)-3H-1,3-thiazol-2-one
CID 103113129
4-(3-aminobutan-2-yl)-3H-1,3-thiazol-2-one
CID 103113135
4-(2-aminocyclopentyl)-3H-1,3-thiazol-2-one
CID 103113136
4-(2-aminopentyl)-3H-1,3-thiazol-2-one
CID 103113138
4-[1-(aminomethyl)cyclobutyl]-3H-1,3-thiazol-2-one
CID 103113150
4-(1-aminobutan-2-yl)-3H-1,3-thiazol-2-one
CID 103113164

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one (CID 103113127) is 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one is CC(C)C(N)Cc1csc(=O)[nH]1.
What is the InChIKey of 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one?
The InChIKey is NIHQWOKYROMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(2)7(9)3-6-4-12-8(11)10-6/h4-5,7H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one?
4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).