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

C7H7N3S — CID 90112516

IUPAC3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
SMILESNc1[nH]ccc1-c1nccs1
InChIInChI=1S/C7H7N3S/c8-6-5(1-2-9-6)7-10-3-4-11-7/h1-4,9H,8H2
InChIKeyZUIDZJHTPPTCGD-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.72
Rot. Bonds1

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

3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine (PubChem CID 90112516) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
PubChem CID90112516
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
SMILESNc1[nH]ccc1-c1nccs1
InChIInChI=1S/C7H7N3S/c8-6-5(1-2-9-6)7-10-3-4-11-7/h1-4,9H,8H2
InChIKeyZUIDZJHTPPTCGD-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 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine (CID 90112516) is 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine is Nc1[nH]ccc1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is ZUIDZJHTPPTCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-5(1-2-9-6)7-10-3-4-11-7/h1-4,9H,8H2.
What are the key properties of 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-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 3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 90112516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).