2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine

C7H7N3S — CID 137013294

IUPAC2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C7H7N3S/c8-6-4-11-7(10-6)5-1-2-9-3-5/h1-4,9H,8H2
InChIKeyDDRDDVGPFBOXDG-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.72
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine

2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine (PubChem CID 137013294) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
PubChem CID137013294
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C7H7N3S/c8-6-4-11-7(10-6)5-1-2-9-3-5/h1-4,9H,8H2
InChIKeyDDRDDVGPFBOXDG-UHFFFAOYSA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine (CID 137013294) is 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine is Nc1csc(-c2cc[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The InChIKey is DDRDDVGPFBOXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-4-11-7(10-6)5-1-2-9-3-5/h1-4,9H,8H2.
What are the key properties of 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine has a molecular weight of 165.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 137013294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).