2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine

C15H20N4S — CID 119147362

IUPAC2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
SMILESCc1sc(C/N=C(\N)Nc2ccccc2)nc1C(C)C
InChIInChI=1S/C15H20N4S/c1-10(2)14-11(3)20-13(19-14)9-17-15(16)18-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18)
InChIKeyAQKURJYQOUHHLL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.50
Rot. Bonds4

About 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine

2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine (PubChem CID 119147362) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
PubChem CID119147362
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
SMILESCc1sc(C/N=C(\N)Nc2ccccc2)nc1C(C)C
InChIInChI=1S/C15H20N4S/c1-10(2)14-11(3)20-13(19-14)9-17-15(16)18-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18)
InChIKeyAQKURJYQOUHHLL-UHFFFAOYSA-N
XLogP3.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.50
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'}

Analyze 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine 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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111817423
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
2-[(4,5-dimethylthiophen-2-yl)methyl]-1-phenylguanidine
CID 65243538
2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110925540
2-benzyl-1-phenylguanidine
CID 12910062
2-[(5-chlorothiophen-2-yl)methyl]-1-phenylguanidine
CID 62406052
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111817470
1-(3-chloro-4-methoxyphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111817401
1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046163
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine (CID 119147362) is 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine is Cc1sc(C/N=C(\N)Nc2ccccc2)nc1C(C)C.
What is the InChIKey of 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The InChIKey is AQKURJYQOUHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10(2)14-11(3)20-13(19-14)9-17-15(16)18-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H3,16,17,18).
What are the key properties of 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine has a molecular weight of 288.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine is sourced from PubChem (CID 119147362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).