[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate

C7H10N2O2S — CID 58545567

IUPAC[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate
SMILESCC(C)Nc1nc(OC=O)cs1
InChIInChI=1S/C7H10N2O2S/c1-5(2)8-7-9-6(3-12-7)11-4-10/h3-5H,1-2H3,(H,8,9)
InChIKeyYRNUAILXPYAGTH-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.50
Rot. Bonds4

About [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate

[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate (PubChem CID 58545567) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate
PubChem CID58545567
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate
SMILESCC(C)Nc1nc(OC=O)cs1
InChIInChI=1S/C7H10N2O2S/c1-5(2)8-7-9-6(3-12-7)11-4-10/h3-5H,1-2H3,(H,8,9)
InChIKeyYRNUAILXPYAGTH-UHFFFAOYSA-N
XLogP1.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate (CID 58545567) is [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate is CC(C)Nc1nc(OC=O)cs1.
What is the InChIKey of [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate?
The InChIKey is YRNUAILXPYAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5(2)8-7-9-6(3-12-7)11-4-10/h3-5H,1-2H3,(H,8,9).
What are the key properties of [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate?
[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate has a molecular weight of 186.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 58545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).