2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine

C12H14N4OS — CID 2938182

IUPAC2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
SMILESCc1ccc(CC2SC(N=C(N)N)=NC2=O)cc1
InChIInChI=1S/C12H14N4OS/c1-7-2-4-8(5-3-7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyNNOYQGOHZDCZFF-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.81
Rot. Bonds2

About 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine

2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine (PubChem CID 2938182) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
PubChem CID2938182
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
SMILESCc1ccc(CC2SC(N=C(N)N)=NC2=O)cc1
InChIInChI=1S/C12H14N4OS/c1-7-2-4-8(5-3-7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyNNOYQGOHZDCZFF-UHFFFAOYSA-N
XLogP0.81
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-(4-Fluoro-benzyl)-2-imino-thiazolidin-4-one
CID 2872834
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
5-(4-Acetyl-benzyl)-2-imino-thiazolidin-4-one
CID 2919289
2-Amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
CID 2841517
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47242079
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 50910519
1-[(2E)-5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 3157019
2-Imino-5-benzyl-1,3-thiazolidin-4-one
CID 2729442
4-Thiazolidinone, 2-imino-5-phenyl-
CID 220172
2-Amino-5-[(3-methylphenyl)methyl]-1,3-thiazol-4-one;hydrochloride
CID 16192958

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine (CID 2938182) is 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine is Cc1ccc(CC2SC(N=C(N)N)=NC2=O)cc1.
What is the InChIKey of 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The InChIKey is NNOYQGOHZDCZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-2-4-8(5-3-7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine has a molecular weight of 262.34 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 2938182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).