3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide

C10H17N3OS — CID 120501910

IUPAC3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide
SMILESCc1nc(C)c(NC(=O)C(C)C(C)N)s1
InChIInChI=1S/C10H17N3OS/c1-5(6(2)11)9(14)13-10-7(3)12-8(4)15-10/h5-6H,11H2,1-4H3,(H,13,14)
InChIKeyZFSSCCZBZUMVSZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide

3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide (PubChem CID 120501910) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide
PubChem CID120501910
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide
SMILESCc1nc(C)c(NC(=O)C(C)C(C)N)s1
InChIInChI=1S/C10H17N3OS/c1-5(6(2)11)9(14)13-10-7(3)12-8(4)15-10/h5-6H,11H2,1-4H3,(H,13,14)
InChIKeyZFSSCCZBZUMVSZ-UHFFFAOYSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
CID 127009505
2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride
CID 120992010
(2R)-2-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
CID 119339118
(E)-N-(2,4-dimethyl-1,3-thiazol-5-yl)but-2-enamide
CID 131232611
N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(ethylamino)acetamide
CID 130685171
3-amino-2-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-3-phenylpropanamide;hydrochloride
CID 119810801
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120504074
3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501562
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
N,2,4-trimethyl-1,3-thiazol-5-amine;dihydrochloride
CID 89251665

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide (CID 120501910) is 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide is Cc1nc(C)c(NC(=O)C(C)C(C)N)s1.
What is the InChIKey of 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide?
The InChIKey is ZFSSCCZBZUMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-5(6(2)11)9(14)13-10-7(3)12-8(4)15-10/h5-6H,11H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide?
3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide has a molecular weight of 227.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 120501910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).