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

C8H10N6S2 — CID 18953808

IUPAC2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESNCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H10N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,1,9H2,(H4,10,11,13,14)
InChIKeyOYUJUXUCANTWDV-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.63
Rot. Bonds3

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

2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 18953808) has the molecular formula C8H10N6S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID18953808
Molecular FormulaC8H10N6S2
Molecular Weight254.34 g/mol
Exact Mass254.04
IUPAC Name2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESNCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C8H10N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,1,9H2,(H4,10,11,13,14)
InChIKeyOYUJUXUCANTWDV-UHFFFAOYSA-N
XLogP0.63
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
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-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine (CID 18953808) is 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine is NCc1nc(-c2csc(N=C(N)N)n2)cs1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is OYUJUXUCANTWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S2/c9-1-6-12-4(2-15-6)5-3-16-8(13-5)14-7(10)11/h2-3H,1,9H2,(H4,10,11,13,14).
What are the key properties of 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 254.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 18953808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).