[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid

C5H6N2O3S — CID 90241607

IUPAC[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(CO)s1
InChIInChI=1S/C5H6N2O3S/c8-2-3-1-6-4(11-3)7-5(9)10/h1,8H,2H2,(H,6,7)(H,9,10)
InChIKeyAJCAUAAXPONAAZ-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.73
Rot. Bonds2

About [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid

[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 90241607) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID90241607
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(CO)s1
InChIInChI=1S/C5H6N2O3S/c8-2-3-1-6-4(11-3)7-5(9)10/h1,8H,2H2,(H,6,7)(H,9,10)
InChIKeyAJCAUAAXPONAAZ-UHFFFAOYSA-N
XLogP0.73
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid (CID 90241607) is [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1ncc(CO)s1.
What is the InChIKey of [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is AJCAUAAXPONAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-2-3-1-6-4(11-3)7-5(9)10/h1,8H,2H2,(H,6,7)(H,9,10).
What are the key properties of [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 174.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 90241607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).