carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine

C7H11N3O2S — CID 67377913

IUPACcarbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine
SMILESC=CCc1nc(N)cs1.NC(=O)O
InChIInChI=1S/C6H8N2S.CH3NO2/c1-2-3-6-8-5(7)4-9-6;2-1(3)4/h2,4H,1,3,7H2;2H2,(H,3,4)
InChIKeyHUBLLEKPLOMOTE-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.08
Rot. Bonds2

About carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine

carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine (PubChem CID 67377913) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Namecarbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine
PubChem CID67377913
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namecarbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine
SMILESC=CCc1nc(N)cs1.NC(=O)O
InChIInChI=1S/C6H8N2S.CH3NO2/c1-2-3-6-8-5(7)4-9-6;2-1(3)4/h2,4H,1,3,7H2;2H2,(H,3,4)
InChIKeyHUBLLEKPLOMOTE-UHFFFAOYSA-N
XLogP1.08
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine?
The IUPAC name of carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine (CID 67377913) is carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine.
What is the SMILES notation for carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine?
The canonical SMILES for carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine is C=CCc1nc(N)cs1.NC(=O)O.
What is the InChIKey of carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine?
The InChIKey is HUBLLEKPLOMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.CH3NO2/c1-2-3-6-8-5(7)4-9-6;2-1(3)4/h2,4H,1,3,7H2;2H2,(H,3,4).
What are the key properties of carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine?
carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine has a molecular weight of 201.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-prop-2-enyl-1,3-thiazol-4-amine is sourced from PubChem (CID 67377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).