2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine

C11H13N5S — CID 14140359

IUPAC2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCc1cccc(C)c1-c1nnc(N=C(N)N)s1
InChIInChI=1S/C11H13N5S/c1-6-4-3-5-7(2)8(6)9-15-16-11(17-9)14-10(12)13/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKeyHJWVLOVWMRDMSW-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.73
Rot. Bonds2

About 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine

2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine (PubChem CID 14140359) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
PubChem CID14140359
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCc1cccc(C)c1-c1nnc(N=C(N)N)s1
InChIInChI=1S/C11H13N5S/c1-6-4-3-5-7(2)8(6)9-15-16-11(17-9)14-10(12)13/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKeyHJWVLOVWMRDMSW-UHFFFAOYSA-N
XLogP1.73
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.73
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

2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140374
2-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263083
2-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140336
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140345
2-(5-methyl-1,3-thiazol-2-yl)guanidine
CID 23545906
2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45270915
5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 103863145
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
CID 175773289
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine
CID 3147443

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine (CID 14140359) is 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine is Cc1cccc(C)c1-c1nnc(N=C(N)N)s1.
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The InChIKey is HJWVLOVWMRDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-6-4-3-5-7(2)8(6)9-15-16-11(17-9)14-10(12)13/h3-5H,1-2H3,(H4,12,13,14,16).
What are the key properties of 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine has a molecular weight of 247.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]guanidine is sourced from PubChem (CID 14140359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).