1,3-thiazol-5-ylcarbamic acid

C4H4N2O2S — CID 69255829

IUPAC1,3-thiazol-5-ylcarbamic acid
SMILESO=C(O)Nc1cncs1
InChIInChI=1S/C4H4N2O2S/c7-4(8)6-3-1-5-2-9-3/h1-2,6H,(H,7,8)
InChIKeyRIFLNDAPBUQLJW-UHFFFAOYSA-N
MW144.16 g/mol
LogP1.23
Rot. Bonds1

About 1,3-thiazol-5-ylcarbamic acid

1,3-thiazol-5-ylcarbamic acid (PubChem CID 69255829) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,3-thiazol-5-ylcarbamic acid.

Molecular Properties

Compound Name1,3-thiazol-5-ylcarbamic acid
PubChem CID69255829
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name1,3-thiazol-5-ylcarbamic acid
SMILESO=C(O)Nc1cncs1
InChIInChI=1S/C4H4N2O2S/c7-4(8)6-3-1-5-2-9-3/h1-2,6H,(H,7,8)
InChIKeyRIFLNDAPBUQLJW-UHFFFAOYSA-N
XLogP1.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylcarbamic acid?
The IUPAC name of 1,3-thiazol-5-ylcarbamic acid (CID 69255829) is 1,3-thiazol-5-ylcarbamic acid.
What is the SMILES notation for 1,3-thiazol-5-ylcarbamic acid?
The canonical SMILES for 1,3-thiazol-5-ylcarbamic acid is O=C(O)Nc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylcarbamic acid?
The InChIKey is RIFLNDAPBUQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c7-4(8)6-3-1-5-2-9-3/h1-2,6H,(H,7,8).
What are the key properties of 1,3-thiazol-5-ylcarbamic acid?
1,3-thiazol-5-ylcarbamic acid has a molecular weight of 144.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylcarbamic acid is sourced from PubChem (CID 69255829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).