N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide

C16H28N4S — CID 154413038

IUPACN'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide
SMILESCCCN(CC)/C(=N\CC1CCCCC1)c1snnc1C
InChIInChI=1S/C16H28N4S/c1-4-11-20(5-2)16(15-13(3)18-19-21-15)17-12-14-9-7-6-8-10-14/h14H,4-12H2,1-3H3/b17-16-
InChIKeyRHMYYAKINIFKAZ-MSUUIHNZSA-N
MW308.49 g/mol
LogP3.91
Rot. Bonds6

About N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide

N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide (PubChem CID 154413038) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide
PubChem CID154413038
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC NameN'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide
SMILESCCCN(CC)/C(=N\CC1CCCCC1)c1snnc1C
InChIInChI=1S/C16H28N4S/c1-4-11-20(5-2)16(15-13(3)18-19-21-15)17-12-14-9-7-6-8-10-14/h14H,4-12H2,1-3H3/b17-16-
InChIKeyRHMYYAKINIFKAZ-MSUUIHNZSA-N
XLogP3.91
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
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)-4-methyl-N-(4-methylphenyl)thiadiazole-5-carboximidamide
CID 154146696
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
N'-(cyclohexylmethyl)-4-methyl-N-(2-nitrophenyl)thiadiazole-5-carboximidamide
CID 154360660
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
CID 20551682
N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 80660951
2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
CID 20701446
2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
CID 43655872
2-(3-cyclohexylpropyl)-1,1-diethylguanidine
CID 111062808
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
1-ethyl-1,2-dipropylguanidine
CID 62359189

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide?
The IUPAC name of N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide (CID 154413038) is N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide?
The canonical SMILES for N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide is CCCN(CC)/C(=N\CC1CCCCC1)c1snnc1C.
What is the InChIKey of N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide?
The InChIKey is RHMYYAKINIFKAZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H28N4S/c1-4-11-20(5-2)16(15-13(3)18-19-21-15)17-12-14-9-7-6-8-10-14/h14H,4-12H2,1-3H3/b17-16-.
What are the key properties of N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide?
N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide has a molecular weight of 308.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-ethyl-4-methyl-N-propylthiadiazole-5-carboximidamide is sourced from PubChem (CID 154413038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).