4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116673185

IUPAC4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(CO)C(C)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-7(6-18)8(2)15-12(19)10-11(14)17-13(20-10)16-9-4-3-5-9/h7-9,18H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyFSGVSGGTKNLATC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673185) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673185
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(CO)C(C)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-7(6-18)8(2)15-12(19)10-11(14)17-13(20-10)16-9-4-3-5-9/h7-9,18H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyFSGVSGGTKNLATC-UHFFFAOYSA-N
XLogP1.44
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide 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-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663684
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 116673185) is 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is CC(CO)C(C)NC(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FSGVSGGTKNLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-7(6-18)8(2)15-12(19)10-11(14)17-13(20-10)16-9-4-3-5-9/h7-9,18H,3-6,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).