2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine

C11H12N4OS — CID 3780371

IUPAC2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C11H12N4OS/c1-16-8-4-2-7(3-5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyLFCQUNMSNZYLTF-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 3780371) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID3780371
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C11H12N4OS/c1-16-8-4-2-7(3-5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyLFCQUNMSNZYLTF-UHFFFAOYSA-N
XLogP1.72
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.72
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

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
Tioxamast
CID 68927
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine (CID 3780371) is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine is COc1ccc(-c2csc(N=C(N)N)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is LFCQUNMSNZYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-16-8-4-2-7(3-5-8)9-6-17-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 248.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 3780371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).