[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid

C6H7BrN2O3S — CID 87286128

IUPAC[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCc1nc(NC(=O)O)sc1Br
InChIInChI=1S/C6H7BrN2O3S/c1-12-2-3-4(7)13-5(8-3)9-6(10)11/h2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGMAUYLNRARVODM-UHFFFAOYSA-N
MW267.10 g/mol
LogP2.14
Rot. Bonds3

About [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid

[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87286128) has the molecular formula C6H7BrN2O3S and a molecular weight of 267.10 g/mol. Its IUPAC name is [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87286128
Molecular FormulaC6H7BrN2O3S
Molecular Weight267.10 g/mol
Exact Mass265.94
IUPAC Name[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCc1nc(NC(=O)O)sc1Br
InChIInChI=1S/C6H7BrN2O3S/c1-12-2-3-4(7)13-5(8-3)9-6(10)11/h2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGMAUYLNRARVODM-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87286128) is [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid is COCc1nc(NC(=O)O)sc1Br.
What is the InChIKey of [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is GMAUYLNRARVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3S/c1-12-2-3-4(7)13-5(8-3)9-6(10)11/h2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
[5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 267.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87286128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).