5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C11H17N3O3S — CID 81080329

IUPAC5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCC(CN)CC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-7(5-12)4-8(15)13-10-9(11(16)17)6(2)14-18-10/h7H,3-5,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMFPQALQNPMPFSY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.46
Rot. Bonds6

About 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 81080329) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID81080329
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCC(CN)CC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-7(5-12)4-8(15)13-10-9(11(16)17)6(2)14-18-10/h7H,3-5,12H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMFPQALQNPMPFSY-UHFFFAOYSA-N
XLogP1.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 81080329) is 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is CCC(CN)CC(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is MFPQALQNPMPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-7(5-12)4-8(15)13-10-9(11(16)17)6(2)14-18-10/h7H,3-5,12H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 81080329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).