2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid

C7H8N2O3S — CID 23106555

IUPAC2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid
SMILESO=Cc1nc(CCNC(=O)O)cs1
InChIInChI=1S/C7H8N2O3S/c10-3-6-9-5(4-13-6)1-2-8-7(11)12/h3-4,8H,1-2H2,(H,11,12)
InChIKeyOVFRTWMCJFSHKJ-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid

2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid (PubChem CID 23106555) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid
PubChem CID23106555
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid
SMILESO=Cc1nc(CCNC(=O)O)cs1
InChIInChI=1S/C7H8N2O3S/c10-3-6-9-5(4-13-6)1-2-8-7(11)12/h3-4,8H,1-2H2,(H,11,12)
InChIKeyOVFRTWMCJFSHKJ-UHFFFAOYSA-N
XLogP0.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
CID 162413574
2,2,2-trifluoroethyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 45835478
2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate
CID 78904928
4-[2-(Trifluoroacetamido)ethyl]-1,3-thiazole-2-carboxylic acid
CID 125458172
2,2,2-Trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 125458802
1-(2-Formyl-1,3-thiazol-4-yl)ethylcarbamic acid
CID 23106513
N-[(2-methyl-1,3-thiazol-4-yl)acetyl]glycine
CID 43354386
2-(4-Methyl-1,3-thiazol-2-yl)ethylcarbamic acid
CID 67507576
2-(2-Methyl-1,3-thiazol-4-yl)ethylcarbamic acid
CID 69798371
2-(1,3-Thiazol-4-yl)ethylcarbamic acid
CID 69862785
tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 91528167
[4-(2-Amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 134209832

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid?
The IUPAC name of 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid (CID 23106555) is 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid?
The canonical SMILES for 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid is O=Cc1nc(CCNC(=O)O)cs1.
What is the InChIKey of 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid?
The InChIKey is OVFRTWMCJFSHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c10-3-6-9-5(4-13-6)1-2-8-7(11)12/h3-4,8H,1-2H2,(H,11,12).
What are the key properties of 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid?
2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid has a molecular weight of 200.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-1,3-thiazol-4-yl)ethylcarbamic acid is sourced from PubChem (CID 23106555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).