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

C7H7N5S2 — CID 13100987

IUPAC2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cscn2)cs1
InChIInChI=1S/C7H7N5S2/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4/h1-3H,(H4,8,9,11,12)
InChIKeyAXCNMJYJGZCULB-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.17
Rot. Bonds2

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

2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13100987) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13100987
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cscn2)cs1
InChIInChI=1S/C7H7N5S2/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4/h1-3H,(H4,8,9,11,12)
InChIKeyAXCNMJYJGZCULB-UHFFFAOYSA-N
XLogP1.17
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (CID 13100987) is 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2cscn2)cs1.
What is the InChIKey of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is AXCNMJYJGZCULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c8-6(9)12-7-11-5(2-14-7)4-1-13-3-10-4/h1-3H,(H4,8,9,11,12).
What are the key properties of 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 225.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13100987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).