1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine

C19H22N4S2 — CID 111893179

IUPAC1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1sccc1C)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H22N4S2/c1-3-20-19(21-11-17-14(2)9-10-24-17)22-12-18-23-16(13-25-18)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyKHHNYCBBMDBLFR-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.44
Rot. Bonds6

About 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine

1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111893179) has the molecular formula C19H22N4S2 and a molecular weight of 370.55 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111893179
Molecular FormulaC19H22N4S2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1sccc1C)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H22N4S2/c1-3-20-19(21-11-17-14(2)9-10-24-17)22-12-18-23-16(13-25-18)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyKHHNYCBBMDBLFR-UHFFFAOYSA-N
XLogP4.44
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.44
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'}

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 109428647
1-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-prop-2-enylguanidine
CID 110983182
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111525235
1-(2-ethoxyethyl)-3-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111895605
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 109416855
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111892790
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 86778954
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111602439
N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111892765
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126719
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111987601

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111893179) is 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1sccc1C)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is KHHNYCBBMDBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S2/c1-3-20-19(21-11-17-14(2)9-10-24-17)22-12-18-23-16(13-25-18)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine?
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 370.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111893179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).