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

C5H6N2O3S — CID 87112196

IUPAC[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CO)cs1
InChIInChI=1S/C5H6N2O3S/c8-1-3-2-11-4(6-3)7-5(9)10/h2,8H,1H2,(H,6,7)(H,9,10)
InChIKeyKSCAWKNFCFFFPX-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.73
Rot. Bonds2

About [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid

[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87112196) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87112196
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CO)cs1
InChIInChI=1S/C5H6N2O3S/c8-1-3-2-11-4(6-3)7-5(9)10/h2,8H,1H2,(H,6,7)(H,9,10)
InChIKeyKSCAWKNFCFFFPX-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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Related Compounds

[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid
CID 90457555
ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
CID 174499606
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 87593845
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62401102
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87112196) is [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(CO)cs1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is KSCAWKNFCFFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-1-3-2-11-4(6-3)7-5(9)10/h2,8H,1H2,(H,6,7)(H,9,10).
What are the key properties of [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(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 [4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87112196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).