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

C11H19N3OS — CID 82012439

IUPAC5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncsc1CNC(=O)CCC(C)CN
InChIInChI=1S/C11H19N3OS/c1-8(5-12)3-4-11(15)13-6-10-9(2)14-7-16-10/h7-8H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyFKGPFNATTHZMCK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.44
Rot. Bonds6

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

5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 82012439) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID82012439
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncsc1CNC(=O)CCC(C)CN
InChIInChI=1S/C11H19N3OS/c1-8(5-12)3-4-11(15)13-6-10-9(2)14-7-16-10/h7-8H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyFKGPFNATTHZMCK-UHFFFAOYSA-N
XLogP1.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 82012439) is 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncsc1CNC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is FKGPFNATTHZMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(5-12)3-4-11(15)13-6-10-9(2)14-7-16-10/h7-8H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 82012439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).