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

C11H11ClN4OS — CID 3748795

IUPAC2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=NC1=NC(=O)C(Cc2ccccc2Cl)S1
InChIInChI=1S/C11H11ClN4OS/c12-7-4-2-1-3-6(7)5-8-9(17)15-11(18-8)16-10(13)14/h1-4,8H,5H2,(H4,13,14,15,16,17)
InChIKeyANTZKNUTIAZRAC-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.15
Rot. Bonds2

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

2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine (PubChem CID 3748795) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
PubChem CID3748795
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=NC1=NC(=O)C(Cc2ccccc2Cl)S1
InChIInChI=1S/C11H11ClN4OS/c12-7-4-2-1-3-6(7)5-8-9(17)15-11(18-8)16-10(13)14/h1-4,8H,5H2,(H4,13,14,15,16,17)
InChIKeyANTZKNUTIAZRAC-UHFFFAOYSA-N
XLogP1.15
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.15
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

2-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 825146
5-(4-Fluoro-benzyl)-2-imino-thiazolidin-4-one
CID 2872834
2-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135412232
2-[(2-chlorobenzyl)thio]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135494820
5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
CID 247102
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
6-amino-2-[(2-chlorobenzyl)sulfanyl]-5-phenyl-4(3H)-pyrimidinone
CID 135398932
2-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2541496
4-Thiazolidinone, 2-imino-5-phenyl-
CID 220172
2-Amino-5-[(3-methylphenyl)methyl]-1,3-thiazol-4-one;hydrochloride
CID 16192958
2-Amino-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-4-one
CID 2872706

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine (CID 3748795) is 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine is NC(N)=NC1=NC(=O)C(Cc2ccccc2Cl)S1.
What is the InChIKey of 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
The InChIKey is ANTZKNUTIAZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-7-4-2-1-3-6(7)5-8-9(17)15-11(18-8)16-10(13)14/h1-4,8H,5H2,(H4,13,14,15,16,17).
What are the key properties of 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine?
2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine has a molecular weight of 282.76 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 3748795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).