4-pyrrol-1-yl-1,3-thiazol-2-amine

C7H7N3S — CID 66520235

IUPAC4-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESNc1nc(-n2cccc2)cs1
InChIInChI=1S/C7H7N3S/c8-7-9-6(5-11-7)10-3-1-2-4-10/h1-5H,(H2,8,9)
InChIKeyWSXZGGBFEJNUIX-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.52
Rot. Bonds1

About 4-pyrrol-1-yl-1,3-thiazol-2-amine

4-pyrrol-1-yl-1,3-thiazol-2-amine (PubChem CID 66520235) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-pyrrol-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyrrol-1-yl-1,3-thiazol-2-amine
PubChem CID66520235
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-pyrrol-1-yl-1,3-thiazol-2-amine
SMILESNc1nc(-n2cccc2)cs1
InChIInChI=1S/C7H7N3S/c8-7-9-6(5-11-7)10-3-1-2-4-10/h1-5H,(H2,8,9)
InChIKeyWSXZGGBFEJNUIX-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-pyrrol-1-yl-1,3-thiazol-2-amine (CID 66520235) is 4-pyrrol-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyrrol-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyrrol-1-yl-1,3-thiazol-2-amine is Nc1nc(-n2cccc2)cs1.
What is the InChIKey of 4-pyrrol-1-yl-1,3-thiazol-2-amine?
The InChIKey is WSXZGGBFEJNUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-7-9-6(5-11-7)10-3-1-2-4-10/h1-5H,(H2,8,9).
What are the key properties of 4-pyrrol-1-yl-1,3-thiazol-2-amine?
4-pyrrol-1-yl-1,3-thiazol-2-amine has a molecular weight of 165.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 66520235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).