1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine

C16H28N4S — CID 111832767

IUPAC1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\Cc1csc(CC)n1)NC1CCC(C)CC1
InChIInChI=1S/C16H28N4S/c1-4-15-19-14(11-21-15)10-18-16(17-5-2)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H2,17,18,20)
InChIKeyMLFCONIVPKFNRV-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.34
Rot. Bonds5

About 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine

1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine (PubChem CID 111832767) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine
PubChem CID111832767
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine
SMILESCCN/C(=N\Cc1csc(CC)n1)NC1CCC(C)CC1
InChIInChI=1S/C16H28N4S/c1-4-15-19-14(11-21-15)10-18-16(17-5-2)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H2,17,18,20)
InChIKeyMLFCONIVPKFNRV-UHFFFAOYSA-N
XLogP3.34
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.34
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'}

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Related Compounds

1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256285
1-ethyl-3-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111794790
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
1-ethyl-3-(4-methylcyclohexyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256685
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 109401890
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109457771
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111774241
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109462967
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110989379
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110986255
1-ethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018582

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine (CID 111832767) is 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine is CCN/C(=N\Cc1csc(CC)n1)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine?
The InChIKey is MLFCONIVPKFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-4-15-19-14(11-21-15)10-18-16(17-5-2)20-13-8-6-12(3)7-9-13/h11-13H,4-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine?
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine has a molecular weight of 308.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111832767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).