[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid

C7H9N3O3S — CID 134209832

IUPAC[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid
SMILESNC(=O)Cc1csc(CNC(=O)O)n1
InChIInChI=1S/C7H9N3O3S/c8-5(11)1-4-3-14-6(10-4)2-9-7(12)13/h3,9H,1-2H2,(H2,8,11)(H,12,13)
InChIKeyLCZMLDDRMUQMDJ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.06
Rot. Bonds4

About [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid

[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid (PubChem CID 134209832) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid
PubChem CID134209832
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid
SMILESNC(=O)Cc1csc(CNC(=O)O)n1
InChIInChI=1S/C7H9N3O3S/c8-5(11)1-4-3-14-6(10-4)2-9-7(12)13/h3,9H,1-2H2,(H2,8,11)(H,12,13)
InChIKeyLCZMLDDRMUQMDJ-UHFFFAOYSA-N
XLogP-0.06
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The IUPAC name of [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid (CID 134209832) is [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid.
What is the SMILES notation for [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The canonical SMILES for [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid is NC(=O)Cc1csc(CNC(=O)O)n1.
What is the InChIKey of [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid?
The InChIKey is LCZMLDDRMUQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-5(11)1-4-3-14-6(10-4)2-9-7(12)13/h3,9H,1-2H2,(H2,8,11)(H,12,13).
What are the key properties of [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid?
[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid has a molecular weight of 215.23 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]methylcarbamic acid is sourced from PubChem (CID 134209832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).