propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid

C8H13N3O2S — CID 68610625

IUPACpropyl-(1,3-thiazol-5-ylmethylamino)carbamic acid
SMILESCCCN(NCc1cncs1)C(=O)O
InChIInChI=1S/C8H13N3O2S/c1-2-3-11(8(12)13)10-5-7-4-9-6-14-7/h4,6,10H,2-3,5H2,1H3,(H,12,13)
InChIKeyWKUNWLQWJNDJLY-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.54
Rot. Bonds5

About propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid

propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid (PubChem CID 68610625) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid.

Molecular Properties

Compound Namepropyl-(1,3-thiazol-5-ylmethylamino)carbamic acid
PubChem CID68610625
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Namepropyl-(1,3-thiazol-5-ylmethylamino)carbamic acid
SMILESCCCN(NCc1cncs1)C(=O)O
InChIInChI=1S/C8H13N3O2S/c1-2-3-11(8(12)13)10-5-7-4-9-6-14-7/h4,6,10H,2-3,5H2,1H3,(H,12,13)
InChIKeyWKUNWLQWJNDJLY-UHFFFAOYSA-N
XLogP1.54
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid?
The IUPAC name of propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid (CID 68610625) is propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid.
What is the SMILES notation for propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid?
The canonical SMILES for propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid is CCCN(NCc1cncs1)C(=O)O.
What is the InChIKey of propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid?
The InChIKey is WKUNWLQWJNDJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-3-11(8(12)13)10-5-7-4-9-6-14-7/h4,6,10H,2-3,5H2,1H3,(H,12,13).
What are the key properties of propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid?
propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid has a molecular weight of 215.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-(1,3-thiazol-5-ylmethylamino)carbamic acid is sourced from PubChem (CID 68610625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).