N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide

C12H13N3S — CID 63177005

IUPACN'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide
SMILESCc1nc(C/N=C(\N)c2ccccc2)cs1
InChIInChI=1S/C12H13N3S/c1-9-15-11(8-16-9)7-14-12(13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,13,14)
InChIKeyWIQDMRFUGZQLOC-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.36
Rot. Bonds3

About N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide

N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide (PubChem CID 63177005) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide
PubChem CID63177005
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide
SMILESCc1nc(C/N=C(\N)c2ccccc2)cs1
InChIInChI=1S/C12H13N3S/c1-9-15-11(8-16-9)7-14-12(13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,13,14)
InChIKeyWIQDMRFUGZQLOC-UHFFFAOYSA-N
XLogP2.36
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 83036330
N'-(1,3-thiazol-4-ylmethyl)benzenecarboximidamide
CID 63365254
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
CID 63176850
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
N'-[(4-bromothiophen-2-yl)methyl]benzenecarboximidamide
CID 63362894
2-benzyl-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110954784
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
1,1-diethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038270
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide (CID 63177005) is N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide is Cc1nc(C/N=C(\N)c2ccccc2)cs1.
What is the InChIKey of N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide?
The InChIKey is WIQDMRFUGZQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-9-15-11(8-16-9)7-14-12(13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,13,14).
What are the key properties of N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide?
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide has a molecular weight of 231.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63177005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).