2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid

C11H17N3O3S — CID 63283504

IUPAC2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1scnc1C
InChIInChI=1S/C11H17N3O3S/c1-3-4-14(6-10(15)16)11(17)12-5-9-8(2)13-7-18-9/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLUENDOPBMTWBTL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.46
Rot. Bonds6

About 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid

2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid (PubChem CID 63283504) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid
PubChem CID63283504
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1scnc1C
InChIInChI=1S/C11H17N3O3S/c1-3-4-14(6-10(15)16)11(17)12-5-9-8(2)13-7-18-9/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyLUENDOPBMTWBTL-UHFFFAOYSA-N
XLogP1.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid (CID 63283504) is 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NCc1scnc1C.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid?
The InChIKey is LUENDOPBMTWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-4-14(6-10(15)16)11(17)12-5-9-8(2)13-7-18-9/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid?
2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid is sourced from PubChem (CID 63283504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).