N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide

C18H30ClFN4OS — CID 140674755

IUPACN-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC1NC(C(=O)N/C(=N\C2CCC(F)CC2)NC2CCCC(Cl)C2)CS1
InChIInChI=1S/C18H30ClFN4OS/c1-11-21-16(10-26-11)17(25)24-18(22-14-7-5-13(20)6-8-14)23-15-4-2-3-12(19)9-15/h11-16,21H,2-10H2,1H3,(H2,22,23,24,25)
InChIKeyMYXXOZJBFAKBDK-UHFFFAOYSA-N
MW404.98 g/mol
LogP2.93
Rot. Bonds3

About N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide

N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 140674755) has the molecular formula C18H30ClFN4OS and a molecular weight of 404.98 g/mol. Its IUPAC name is N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID140674755
Molecular FormulaC18H30ClFN4OS
Molecular Weight404.98 g/mol
Exact Mass404.18
IUPAC NameN-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide
SMILESCC1NC(C(=O)N/C(=N\C2CCC(F)CC2)NC2CCCC(Cl)C2)CS1
InChIInChI=1S/C18H30ClFN4OS/c1-11-21-16(10-26-11)17(25)24-18(22-14-7-5-13(20)6-8-14)23-15-4-2-3-12(19)9-15/h11-16,21H,2-10H2,1H3,(H2,22,23,24,25)
InChIKeyMYXXOZJBFAKBDK-UHFFFAOYSA-N
XLogP2.93
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(Z)-N'-[5-(3-chlorocyclohexyl)pyrazolidin-3-yl]-N-(3-chloro-5-fluorocyclohexyl)carbamimidoyl]-3-fluorocyclohexane-1-carboxamide
CID 140623045
3-chloro-N-[(Z)-N-(3-chloro-5-fluorocyclohexyl)-N'-(2-cyclohexylpyrazolidin-3-yl)carbamimidoyl]cyclohexane-1-carboxamide
CID 140747100
N-[(Z)-N'-[5-(3-chloro-5-fluorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674737
2-methyl-1,3-thiazolidine-4-carboxamide
CID 18505122
methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
CID 124581511
N-[(E)-N-(3-chloro-5-fluorocyclohexyl)-N'-[4-methyl-5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]-3,4-difluorocyclohexane-1-carboxamide
CID 140747124
(1R)-3-chloro-N-methylcyclohexan-1-amine
CID 134365842
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylcyclohexyl]-2-methyl-1,3-thiazolidine-4-carboxamide
CID 140547047
carbonyl dichloride;fluorocyclobutane
CID 158358387
2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid
CID 70414980
N-[(Z)-N'-[5-(4-chlorocyclohexyl)pyrazolidin-3-yl]-N-cyclopentylcarbamimidoyl]-5-methyl-1,2-oxazolidine-4-carboxamide
CID 140674697
N-[(Z)-N-(3-fluorocyclohexyl)-N'-[5-(3-fluoro-4-hydroxycyclohexyl)pyrazolidin-3-yl]carbamimidoyl]-1-methyl-3-(trifluoromethyl)pyrazolidine-4-carboxamide
CID 140674651

Frequently Asked Questions

What is the IUPAC name of N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide (CID 140674755) is N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide is CC1NC(C(=O)N/C(=N\C2CCC(F)CC2)NC2CCCC(Cl)C2)CS1.
What is the InChIKey of N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is MYXXOZJBFAKBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClFN4OS/c1-11-21-16(10-26-11)17(25)24-18(22-14-7-5-13(20)6-8-14)23-15-4-2-3-12(19)9-15/h11-16,21H,2-10H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide?
N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 404.98 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(3-chlorocyclohexyl)-N'-(4-fluorocyclohexyl)carbamimidoyl]-2-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).