(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide

C15H19N3OS — CID 103928998

IUPAC(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12(16)13(19)18-11-6-4-10(5-7-11)14-17-8-9-20-14/h4-9,12H,16H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeySWSSVJQGQYPBLD-LBPRGKRZSA-N
MW289.40 g/mol
LogP3.12
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 103928998) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID103928998
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12(16)13(19)18-11-6-4-10(5-7-11)14-17-8-9-20-14/h4-9,12H,16H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeySWSSVJQGQYPBLD-LBPRGKRZSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 55943190
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111754482
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide (CID 103928998) is (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is SWSSVJQGQYPBLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)12(16)13(19)18-11-6-4-10(5-7-11)14-17-8-9-20-14/h4-9,12H,16H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 103928998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).