N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C18H23N3OS — CID 929372

IUPACN-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCC[C@@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C18H23N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H,19,21,22)/t15-/m0/s1
InChIKeyRPLBYGPCGJRPFT-HNNXBMFYSA-N
MW329.47 g/mol
LogP4.60
Rot. Bonds5

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

N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 929372) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID929372
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCC[C@@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C18H23N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H,19,21,22)/t15-/m0/s1
InChIKeyRPLBYGPCGJRPFT-HNNXBMFYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(1S)-1-phenylpropyl]-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-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 56782378
(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654
1-[[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079659
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170918465
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 929372) is N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is CC[C@@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RPLBYGPCGJRPFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 329.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 929372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).