3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide

C13H23N3OS — CID 114130929

IUPAC3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
SMILESCC(C)(NC(=O)CC(N)C(C)(C)C)c1nccs1
InChIInChI=1S/C13H23N3OS/c1-12(2,3)9(14)8-10(17)16-13(4,5)11-15-6-7-18-11/h6-7,9H,8,14H2,1-5H3,(H,16,17)
InChIKeyVKZSMIDNIPUOPG-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide

3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide (PubChem CID 114130929) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
PubChem CID114130929
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
SMILESCC(C)(NC(=O)CC(N)C(C)(C)C)c1nccs1
InChIInChI=1S/C13H23N3OS/c1-12(2,3)9(14)8-10(17)16-13(4,5)11-15-6-7-18-11/h6-7,9H,8,14H2,1-5H3,(H,16,17)
InChIKeyVKZSMIDNIPUOPG-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide 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

3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
CID 103845803

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide (CID 114130929) is 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide is CC(C)(NC(=O)CC(N)C(C)(C)C)c1nccs1.
What is the InChIKey of 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide?
The InChIKey is VKZSMIDNIPUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-12(2,3)9(14)8-10(17)16-13(4,5)11-15-6-7-18-11/h6-7,9H,8,14H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide?
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide has a molecular weight of 269.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide is sourced from PubChem (CID 114130929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).