2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine

C17H17N5S — CID 74221279

IUPAC2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc3ccccc3c2)nc1C
InChIInChI=1S/C17H17N5S/c1-10-15(11(2)21-22-17(18)19)23-16(20-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H4,18,19,22)/b21-11+
InChIKeyLXDVJISXRWDPMP-SRZZPIQSSA-N
MW323.43 g/mol
LogP3.27
Rot. Bonds3

About 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine

2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine (PubChem CID 74221279) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine
PubChem CID74221279
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc3ccccc3c2)nc1C
InChIInChI=1S/C17H17N5S/c1-10-15(11(2)21-22-17(18)19)23-16(20-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H4,18,19,22)/b21-11+
InChIKeyLXDVJISXRWDPMP-SRZZPIQSSA-N
XLogP3.27
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine (CID 74221279) is 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1sc(-c2ccc3ccccc3c2)nc1C.
What is the InChIKey of 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine?
The InChIKey is LXDVJISXRWDPMP-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H17N5S/c1-10-15(11(2)21-22-17(18)19)23-16(20-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H4,18,19,22)/b21-11+.
What are the key properties of 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine?
2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine has a molecular weight of 323.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethylideneamino]guanidine is sourced from PubChem (CID 74221279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).