3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride

C11H20ClN3OS — CID 120501562

IUPAC3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCC(C)c1cnc(NC(=O)C(C)C(C)N)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-6(2)9-5-13-11(16-9)14-10(15)7(3)8(4)12;/h5-8H,12H2,1-4H3,(H,13,14,15);1H
InChIKeyHOOUICLCSDFXHY-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride

3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 120501562) has the molecular formula C11H20ClN3OS and a molecular weight of 277.82 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
PubChem CID120501562
Molecular FormulaC11H20ClN3OS
Molecular Weight277.82 g/mol
Exact Mass277.10
IUPAC Name3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCC(C)c1cnc(NC(=O)C(C)C(C)N)s1.Cl
InChIInChI=1S/C11H19N3OS.ClH/c1-6(2)9-5-13-11(16-9)14-10(15)7(3)8(4)12;/h5-8H,12H2,1-4H3,(H,13,14,15);1H
InChIKeyHOOUICLCSDFXHY-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 87884959
2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170708
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 87954674
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559540
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
3-[methyl-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 122091531
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride (CID 120501562) is 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride is CC(C)c1cnc(NC(=O)C(C)C(C)N)s1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
The InChIKey is HOOUICLCSDFXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.ClH/c1-6(2)9-5-13-11(16-9)14-10(15)7(3)8(4)12;/h5-8H,12H2,1-4H3,(H,13,14,15);1H.
What are the key properties of 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride?
3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120501562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).