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

C7H6N4S — CID 5065710

IUPAC1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
SMILESc1c[nH]c(N=Nc2nccs2)c1
InChIInChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H
InChIKeyFLCRRDDPPNONFG-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.89
Rot. Bonds2

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

1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene (PubChem CID 5065710) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
PubChem CID5065710
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
SMILESc1c[nH]c(N=Nc2nccs2)c1
InChIInChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H
InChIKeyFLCRRDDPPNONFG-UHFFFAOYSA-N
XLogP2.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
(Azolylimino)thiazoline
CID 129801152
2-(Azolylimino)thiazoline
CID 129878412
Pyrrolo[2,1-b][1,3]thiazol-5-amine
CID 21107793
1H-pyrrole;1,3-thiazole
CID 66963382
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrole-2-thiol
CID 90956579
N-(1,3-thiazol-4-yl)pyrrole-1-sulfonamide
CID 118077980
4-Pyrrol-1-yl-1,3-thiazole
CID 118078297
N-(1H-pyrrol-2-yl)-1,3-thiazole-4-sulfonamide
CID 140744167
2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole
CID 141103703

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The IUPAC name of 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene (CID 5065710) is 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene.
What is the SMILES notation for 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The canonical SMILES for 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene is c1c[nH]c(N=Nc2nccs2)c1.
What is the InChIKey of 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
The InChIKey is FLCRRDDPPNONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-2-6(8-3-1)10-11-7-9-4-5-12-7/h1-5,8H.
What are the key properties of 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene?
1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene has a molecular weight of 178.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 5065710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).