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

C6H8N2O3S — CID 87285914

IUPAC[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCc1csc(NC(=O)O)n1
InChIInChI=1S/C6H8N2O3S/c1-11-2-4-3-12-5(7-4)8-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyTXFBISYFYAGETB-UHFFFAOYSA-N
MW188.21 g/mol
LogP1.38
Rot. Bonds3

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

[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87285914) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87285914
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCc1csc(NC(=O)O)n1
InChIInChI=1S/C6H8N2O3S/c1-11-2-4-3-12-5(7-4)8-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyTXFBISYFYAGETB-UHFFFAOYSA-N
XLogP1.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
CID 99833695
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1,1-dimethylhydrazine
CID 131059203
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
[4-(azidomethyl)-1,3-thiazol-2-yl]carbamic acid
CID 90457555
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11717378

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87285914) is [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid is COCc1csc(NC(=O)O)n1.
What is the InChIKey of [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is TXFBISYFYAGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-11-2-4-3-12-5(7-4)8-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 188.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87285914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).