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

C7H7N3S — CID 141340071

IUPAC4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
SMILESNc1cc(-c2nccs2)c[nH]1
InChIInChI=1S/C7H7N3S/c8-6-3-5(4-10-6)7-9-1-2-11-7/h1-4,10H,8H2
InChIKeyLTEZMGLHWHOQEJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.72
Rot. Bonds1

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

4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine (PubChem CID 141340071) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
PubChem CID141340071
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
SMILESNc1cc(-c2nccs2)c[nH]1
InChIInChI=1S/C7H7N3S/c8-6-3-5(4-10-6)7-9-1-2-11-7/h1-4,10H,8H2
InChIKeyLTEZMGLHWHOQEJ-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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Related Compounds

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[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
2-(1H-Pyrrol-3-yl)-1,3-thiazole
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2-(4-methyl-1H-pyrrol-3-yl)-1,3-thiazole
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4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide
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N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
CID 140744167
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
CID 142893857
2-(5-bromo-1H-pyrrol-3-yl)-1,3-thiazole
CID 152211028
guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
CID 162247974
1H-pyrrol-2-amine;thiophene
CID 174932440

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine (CID 141340071) is 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine is Nc1cc(-c2nccs2)c[nH]1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is LTEZMGLHWHOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-3-5(4-10-6)7-9-1-2-11-7/h1-4,10H,8H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine?
4-(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 4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 141340071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).