N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C19H24FN3OS — CID 70685212

IUPACN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H24FN3OS/c1-2-3-12-23(18(24)14-8-5-4-6-9-14)19-22-21-17(25-19)15-10-7-11-16(20)13-15/h7,10-11,13-14H,2-6,8-9,12H2,1H3
InChIKeyRHRZUSLCVPROQS-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.06
Rot. Bonds6

About N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 70685212) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID70685212
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC NameN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H24FN3OS/c1-2-3-12-23(18(24)14-8-5-4-6-9-14)19-22-21-17(25-19)15-10-7-11-16(20)13-15/h7,10-11,13-14H,2-6,8-9,12H2,1H3
InChIKeyRHRZUSLCVPROQS-UHFFFAOYSA-N
XLogP5.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide 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

N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230629
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide
CID 3230641
N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 3498004
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-butyl-3-chloro-2-fluoro-N-[5-(4-formyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 58390915
N-butyl-2-methoxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230606
N-ethyl-3-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3328074
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)-2-phenoxypropanamide
CID 25061408
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbutanamide
CID 3230592
1-[[4-[5-[butyl-(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 45377937

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 70685212) is N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is CCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RHRZUSLCVPROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-2-3-12-23(18(24)14-8-5-4-6-9-14)19-22-21-17(25-19)15-10-7-11-16(20)13-15/h7,10-11,13-14H,2-6,8-9,12H2,1H3.
What are the key properties of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 70685212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).