2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine

C21H25N5S — CID 3054264

IUPAC2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1csc(N/C(=N\C2CCCCC2)Nc2cc(C)nc3ccccc23)n1
InChIInChI=1S/C21H25N5S/c1-14-12-19(17-10-6-7-11-18(17)22-14)25-20(24-16-8-4-3-5-9-16)26-21-23-15(2)13-27-21/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyXVALUKKBZIHILV-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.52
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine

2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine (PubChem CID 3054264) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
PubChem CID3054264
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1csc(N/C(=N\C2CCCCC2)Nc2cc(C)nc3ccccc23)n1
InChIInChI=1S/C21H25N5S/c1-14-12-19(17-10-6-7-11-18(17)22-14)25-20(24-16-8-4-3-5-9-16)26-21-23-15(2)13-27-21/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyXVALUKKBZIHILV-UHFFFAOYSA-N
XLogP5.52
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.52
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

Timegadine
CID 68902
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
N'-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]butanediamide
CID 71451348
N'-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pentanediamide
CID 71451350
N'-(4-phenyl-1,3-thiazol-2-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]butanediamide
CID 71456680
2-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71456681
(6-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972914
Stk090461
CID 2354999
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine (CID 3054264) is 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine is Cc1csc(N/C(=N\C2CCCCC2)Nc2cc(C)nc3ccccc23)n1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine?
The InChIKey is XVALUKKBZIHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-14-12-19(17-10-6-7-11-18(17)22-14)25-20(24-16-8-4-3-5-9-16)26-21-23-15(2)13-27-21/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine?
2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine has a molecular weight of 379.53 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 3054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).