N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

C18H21FN2OS2 — CID 112778344

IUPACN-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H21FN2OS2/c1-12(17(22)20-15-5-3-2-4-6-15)24-18-21-16(11-23-18)13-7-9-14(19)10-8-13/h7-12,15H,2-6H2,1H3,(H,20,22)
InChIKeyTUCQJXKIDKCGKJ-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.88
Rot. Bonds5

About N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 112778344) has the molecular formula C18H21FN2OS2 and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID112778344
Molecular FormulaC18H21FN2OS2
Molecular Weight364.51 g/mol
Exact Mass364.11
IUPAC NameN-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H21FN2OS2/c1-12(17(22)20-15-5-3-2-4-6-15)24-18-21-16(11-23-18)13-7-9-14(19)10-8-13/h7-12,15H,2-6H2,1H3,(H,20,22)
InChIKeyTUCQJXKIDKCGKJ-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2550334
(2R)-N-[4-(dimethylamino)phenyl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 8015493
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 112810704
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778325
(2S)-N-(2-cyanophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 2591295
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
N-cyclopropyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46639725
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 42974274
ethyl 1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-4-carboxylate
CID 112778342
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 112778344) is N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is CC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is TUCQJXKIDKCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS2/c1-12(17(22)20-15-5-3-2-4-6-15)24-18-21-16(11-23-18)13-7-9-14(19)10-8-13/h7-12,15H,2-6H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 364.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 112778344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).