guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole

C8H10N6O2S — CID 162247974

IUPACguanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1[nH]ccc1-c1nccs1.[H]N=C(N)N
InChIInChI=1S/C7H5N3O2S.CH5N3/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7;2-1(3)4/h1-4,8H;(H5,2,3,4)
InChIKeyZXPHXRCAYKRHNL-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.88
Rot. Bonds2

About guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole

guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 162247974) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Nameguanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID162247974
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Nameguanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1[nH]ccc1-c1nccs1.[H]N=C(N)N
InChIInChI=1S/C7H5N3O2S.CH5N3/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7;2-1(3)4/h1-4,8H;(H5,2,3,4)
InChIKeyZXPHXRCAYKRHNL-UHFFFAOYSA-N
XLogP0.88
TPSA147.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Guanidino-4-thiazolylmethylthio)ethylamino]-3-nitropyrrole
CID 13059517
2-[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylsulfanyl-(1,3-thiazol-4-yl)methyl]guanidine
CID 20518175
2-[4-[(3-nitro-1H-pyrrol-2-yl)-prop-2-enylamino]-1,3-thiazol-2-yl]guanidine
CID 88769208
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
4-(1,3-thiazol-2-yl)-1H-pyrrole-3-carboximidamide
CID 136610520
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
CID 79047834
5-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
CID 117582507
2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
CID 137013294
N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
CID 137013296
2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
CID 162247975

Frequently Asked Questions

What is the IUPAC name of guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole (CID 162247974) is guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole is O=[N+]([O-])c1[nH]ccc1-c1nccs1.[H]N=C(N)N.
What is the InChIKey of guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is ZXPHXRCAYKRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S.CH5N3/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7;2-1(3)4/h1-4,8H;(H5,2,3,4).
What are the key properties of guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 254.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 162247974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).