N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide

C18H24N4S — CID 154146696

IUPACN'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide
SMILESCc1ccc(N/C(=N/CC2CCCCC2)c2snnc2C)cc1
InChIInChI=1S/C18H24N4S/c1-13-8-10-16(11-9-13)20-18(17-14(2)21-22-23-17)19-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyAHPRDPCQYHFHPF-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.59
Rot. Bonds4

About N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide

N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide (PubChem CID 154146696) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide
PubChem CID154146696
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide
SMILESCc1ccc(N/C(=N/CC2CCCCC2)c2snnc2C)cc1
InChIInChI=1S/C18H24N4S/c1-13-8-10-16(11-9-13)20-18(17-14(2)21-22-23-17)19-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyAHPRDPCQYHFHPF-UHFFFAOYSA-N
XLogP4.59
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
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

N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide
CID 154413038
N-(cyclohexylmethyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897390
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
CID 20551682
2-(cyclooctylmethyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111075392
4-methyl-N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiadiazole-5-carboxamide
CID 121029160
methyl 4-[[N-(cyclohexylmethyl)-C-methylsulfanylcarbonimidoyl]amino]benzoate
CID 19855138
[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576923
N-(4-methylphenyl)-N'-propylpiperidine-1-carboximidamide
CID 162402578
(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90952308
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide?
The IUPAC name of N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide (CID 154146696) is N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide.
What is the SMILES notation for N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide?
The canonical SMILES for N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide is Cc1ccc(N/C(=N/CC2CCCCC2)c2snnc2C)cc1.
What is the InChIKey of N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide?
The InChIKey is AHPRDPCQYHFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-13-8-10-16(11-9-13)20-18(17-14(2)21-22-23-17)19-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide?
N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide has a molecular weight of 328.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide is sourced from PubChem (CID 154146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).