4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide

C8H8N4S — CID 136610520

IUPAC4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1c[nH]cc1-c1nccs1
InChIInChI=1S/C8H8N4S/c9-7(10)5-3-11-4-6(5)8-12-1-2-13-8/h1-4,11H,(H3,9,10)
InChIKeyCKVOMJVVWJWSII-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.42
Rot. Bonds2

About 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide

4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide (PubChem CID 136610520) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide
PubChem CID136610520
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1c[nH]cc1-c1nccs1
InChIInChI=1S/C8H8N4S/c9-7(10)5-3-11-4-6(5)8-12-1-2-13-8/h1-4,11H,(H3,9,10)
InChIKeyCKVOMJVVWJWSII-UHFFFAOYSA-N
XLogP1.42
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1H-pyrrole;1,3-thiazole
CID 66963382
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carbonitrile
CID 136099393
2-(1H-Pyrrol-3-yl)-1,3-thiazole
CID 136249894
2-(4-methyl-1H-pyrrol-3-yl)-1,3-thiazole
CID 136445548
4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136952587
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
CID 142893857
ethane;1H-pyrrole;1,3-thiazole
CID 159886738
1H-pyrrole;1,3-thiazole;hydrofluoride
CID 161404495
guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
CID 162247974
1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 66397491

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide (CID 136610520) is 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide is [H]/N=C(\N)c1c[nH]cc1-c1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide?
The InChIKey is CKVOMJVVWJWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-7(10)5-3-11-4-6(5)8-12-1-2-13-8/h1-4,11H,(H3,9,10).
What are the key properties of 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide?
4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide has a molecular weight of 192.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide is sourced from PubChem (CID 136610520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).