2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine

C8H6N6S2 — CID 18953772

IUPAC2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESN#Cc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H6N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,(H4,10,11,13,14)
InChIKeyGNVPUGXZALYZEQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.04
Rot. Bonds2

About 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 18953772) has the molecular formula C8H6N6S2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID18953772
Molecular FormulaC8H6N6S2
Molecular Weight250.31 g/mol
Exact Mass250.01
IUPAC Name2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESN#Cc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H6N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,(H4,10,11,13,14)
InChIKeyGNVPUGXZALYZEQ-UHFFFAOYSA-N
XLogP1.04
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (CID 18953772) is 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is N#Cc1nc(-c2csc(N=C(N)N)n2)cs1.
What is the InChIKey of 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is GNVPUGXZALYZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,(H4,10,11,13,14).
What are the key properties of 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 250.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyano-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 18953772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).