2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid

C11H14BrN3O3S — CID 61205623

IUPAC2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ncc(Br)s1)C1CCCC1
InChIInChI=1S/C11H14BrN3O3S/c12-8-5-13-10(19-8)14-11(18)15(6-9(16)17)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17)(H,13,14,18)
InChIKeyFDEDTJHGWSJUEQ-UHFFFAOYSA-N
MW348.22 g/mol
LogP2.77
Rot. Bonds4

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

2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid (PubChem CID 61205623) has the molecular formula C11H14BrN3O3S and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
PubChem CID61205623
Molecular FormulaC11H14BrN3O3S
Molecular Weight348.22 g/mol
Exact Mass346.99
IUPAC Name2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ncc(Br)s1)C1CCCC1
InChIInChI=1S/C11H14BrN3O3S/c12-8-5-13-10(19-8)14-11(18)15(6-9(16)17)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17)(H,13,14,18)
InChIKeyFDEDTJHGWSJUEQ-UHFFFAOYSA-N
XLogP2.77
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-tert-butylamino]acetic acid
CID 79256833
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
CID 107642597
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-butan-2-ylamino]acetic acid
CID 61205989
3-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 61206545
2-[N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-chloroanilino]acetic acid
CID 61205070
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 43135843

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid (CID 61205623) is 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid is O=C(O)CN(C(=O)Nc1ncc(Br)s1)C1CCCC1.
What is the InChIKey of 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid?
The InChIKey is FDEDTJHGWSJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S/c12-8-5-13-10(19-8)14-11(18)15(6-9(16)17)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,16,17)(H,13,14,18).
What are the key properties of 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid?
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid has a molecular weight of 348.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 61205623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).