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

C7H7N3S — CID 66520585

IUPAC2-pyrrol-1-yl-1,3-thiazol-4-amine
SMILESNc1csc(-n2cccc2)n1
InChIInChI=1S/C7H7N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h1-5H,8H2
InChIKeyFLKJJZLZBGTTMD-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.52
Rot. Bonds1

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

2-pyrrol-1-yl-1,3-thiazol-4-amine (PubChem CID 66520585) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-pyrrol-1-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-pyrrol-1-yl-1,3-thiazol-4-amine
PubChem CID66520585
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-pyrrol-1-yl-1,3-thiazol-4-amine
SMILESNc1csc(-n2cccc2)n1
InChIInChI=1S/C7H7N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h1-5H,8H2
InChIKeyFLKJJZLZBGTTMD-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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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
3-(1H-pyrrol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 3239524
4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715102
2-Pyrrol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 19010564
2-Pyrrol-1-yl-4-(trifluoromethoxy)-1,3-thiazole
CID 19010567
5-(1,1,1,2,3,3-Hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
CID 141237141
4-(1H-pyrrol-1-yl)-N-(thiazol-2-yl)butanamide
CID 49671029
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
Pyrrolo[2,1-b][1,3]thiazol-5-amine
CID 21107793
4-Propan-2-yl-2-pyrrol-1-yl-1,3-thiazole
CID 21760627
4-Tert-butyl-2-pyrrol-1-yl-1,3-thiazole
CID 23191351
2-(4-Pyrrol-1-yl-1,3-thiazol-5-yl)ethanol
CID 59858107

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-1,3-thiazol-4-amine?
The IUPAC name of 2-pyrrol-1-yl-1,3-thiazol-4-amine (CID 66520585) is 2-pyrrol-1-yl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-pyrrol-1-yl-1,3-thiazol-4-amine?
The canonical SMILES for 2-pyrrol-1-yl-1,3-thiazol-4-amine is Nc1csc(-n2cccc2)n1.
What is the InChIKey of 2-pyrrol-1-yl-1,3-thiazol-4-amine?
The InChIKey is FLKJJZLZBGTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h1-5H,8H2.
What are the key properties of 2-pyrrol-1-yl-1,3-thiazol-4-amine?
2-pyrrol-1-yl-1,3-thiazol-4-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 2-pyrrol-1-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 66520585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).