1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C11H13BrN2O3S — CID 54919633

IUPAC1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ncc(Br)s1
InChIInChI=1S/C11H13BrN2O3S/c12-7-6-13-10(18-7)14-8(15)5-11(9(16)17)3-1-2-4-11/h6H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPBMXKCXKKCULMG-UHFFFAOYSA-N
MW333.21 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 54919633) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID54919633
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ncc(Br)s1
InChIInChI=1S/C11H13BrN2O3S/c12-7-6-13-10(18-7)14-8(15)5-11(9(16)17)3-1-2-4-11/h6H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPBMXKCXKKCULMG-UHFFFAOYSA-N
XLogP2.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434066
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103556726
1-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61205067
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 167982861
1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149020
1-[2-(2,6-dibromoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107596796
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 54919633) is 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1ncc(Br)s1.
What is the InChIKey of 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PBMXKCXKKCULMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-7-6-13-10(18-7)14-8(15)5-11(9(16)17)3-1-2-4-11/h6H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 333.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54919633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).