4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide

C13H23N3O2S — CID 120593773

IUPAC4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
SMILESCOC(CN)CC(=O)Nc1sc(C)nc1CC(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)5-11-13(19-9(3)15-11)16-12(17)6-10(7-14)18-4/h8,10H,5-7,14H2,1-4H3,(H,16,17)
InChIKeyULUBLCWLUQFXAK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.95
Rot. Bonds7

About 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide

4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide (PubChem CID 120593773) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
PubChem CID120593773
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
SMILESCOC(CN)CC(=O)Nc1sc(C)nc1CC(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)5-11-13(19-9(3)15-11)16-12(17)6-10(7-14)18-4/h8,10H,5-7,14H2,1-4H3,(H,16,17)
InChIKeyULUBLCWLUQFXAK-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119339118
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 103156755
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119810811
2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637239
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
CID 119810798
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
CID 119810801
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid
CID 122086852

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide (CID 120593773) is 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide is COC(CN)CC(=O)Nc1sc(C)nc1CC(C)C.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
The InChIKey is ULUBLCWLUQFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8(2)5-11-13(19-9(3)15-11)16-12(17)6-10(7-14)18-4/h8,10H,5-7,14H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide?
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide has a molecular weight of 285.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide is sourced from PubChem (CID 120593773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).