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

C14H25N3OS — CID 56870438

IUPAC(2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-9(2)6-12(15)14(18)17(5)7-11-8-19-13(16-11)10(3)4/h8-10,12H,6-7,15H2,1-5H3/t12-/m1/s1
InChIKeyNXUOWWNUKRPZPZ-GFCCVEGCSA-N
MW283.44 g/mol
LogP2.60
Rot. Bonds6

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

(2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 56870438) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID56870438
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name(2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-9(2)6-12(15)14(18)17(5)7-11-8-19-13(16-11)10(3)4/h8-10,12H,6-7,15H2,1-5H3/t12-/m1/s1
InChIKeyNXUOWWNUKRPZPZ-GFCCVEGCSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (CID 56870438) is (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is CC(C)C[C@@H](N)C(=O)N(C)Cc1csc(C(C)C)n1.
What is the InChIKey of (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is NXUOWWNUKRPZPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(2)6-12(15)14(18)17(5)7-11-8-19-13(16-11)10(3)4/h8-10,12H,6-7,15H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
(2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 283.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,4-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 56870438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).