2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid

C8H11N3O3S — CID 43135843

IUPAC2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCc1cnc(NC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C8H11N3O3S/c1-5-3-9-7(15-5)10-8(14)11(2)4-6(12)13/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14)
InChIKeySKGASGWQPVGEIZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.00
Rot. Bonds3

About 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid

2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid (PubChem CID 43135843) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
PubChem CID43135843
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCc1cnc(NC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C8H11N3O3S/c1-5-3-9-7(15-5)10-8(14)11(2)4-6(12)13/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14)
InChIKeySKGASGWQPVGEIZ-UHFFFAOYSA-N
XLogP1.00
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid (CID 43135843) is 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid is Cc1cnc(NC(=O)N(C)CC(=O)O)s1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is SKGASGWQPVGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-3-9-7(15-5)10-8(14)11(2)4-6(12)13/h3H,4H2,1-2H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid?
2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 229.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43135843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).