2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C12H21N3OS — CID 54872501

IUPAC2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CN(C)C(=O)C(N)CC(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-8(2)5-11(13)12(16)15(4)7-10-6-14-9(3)17-10/h6,8,11H,5,7,13H2,1-4H3
InChIKeyZIUNKPABMIUOGV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 54872501) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID54872501
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CN(C)C(=O)C(N)CC(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-8(2)5-11(13)12(16)15(4)7-10-6-14-9(3)17-10/h6,8,11H,5,7,13H2,1-4H3
InChIKeyZIUNKPABMIUOGV-UHFFFAOYSA-N
XLogP1.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 54872501) is 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncc(CN(C)C(=O)C(N)CC(C)C)s1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is ZIUNKPABMIUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)5-11(13)12(16)15(4)7-10-6-14-9(3)17-10/h6,8,11H,5,7,13H2,1-4H3.
What are the key properties of 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 255.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 54872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).