(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate

C12H16N2O4S — CID 55701341

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
SMILESCC(=O)Nc1nc(COC(=O)C2(O)CCCC2)cs1
InChIInChI=1S/C12H16N2O4S/c1-8(15)13-11-14-9(7-19-11)6-18-10(16)12(17)4-2-3-5-12/h7,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyXMTPQMINULDRQN-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.45
Rot. Bonds4

About (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate

(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate (PubChem CID 55701341) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
PubChem CID55701341
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate
SMILESCC(=O)Nc1nc(COC(=O)C2(O)CCCC2)cs1
InChIInChI=1S/C12H16N2O4S/c1-8(15)13-11-14-9(7-19-11)6-18-10(16)12(17)4-2-3-5-12/h7,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyXMTPQMINULDRQN-UHFFFAOYSA-N
XLogP1.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate (CID 55701341) is (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate is CC(=O)Nc1nc(COC(=O)C2(O)CCCC2)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is XMTPQMINULDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(15)13-11-14-9(7-19-11)6-18-10(16)12(17)4-2-3-5-12/h7,17H,2-6H2,1H3,(H,13,14,15).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate?
(2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 55701341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).