2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide

C24H32FN5O3S — CID 57435372

IUPAC2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(NC(=O)NC1CCCCC1)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H32FN5O3S/c1-24(2,29-22(32)26-18-6-4-3-5-7-18)21(31)28-23-27-19(16-8-10-17(25)11-9-16)20(34-23)30-12-14-33-15-13-30/h8-11,18H,3-7,12-15H2,1-2H3,(H2,26,29,32)(H,27,28,31)
InChIKeyZXXXWFFGSWBFGN-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.13
Rot. Bonds6

About 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide

2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 57435372) has the molecular formula C24H32FN5O3S and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID57435372
Molecular FormulaC24H32FN5O3S
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(NC(=O)NC1CCCCC1)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H32FN5O3S/c1-24(2,29-22(32)26-18-6-4-3-5-7-18)21(31)28-23-27-19(16-8-10-17(25)11-9-16)20(34-23)30-12-14-33-15-13-30/h8-11,18H,3-7,12-15H2,1-2H3,(H2,26,29,32)(H,27,28,31)
InChIKeyZXXXWFFGSWBFGN-UHFFFAOYSA-N
XLogP4.13
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 57435372) is 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)(NC(=O)NC1CCCCC1)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCOCC2)s1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is ZXXXWFFGSWBFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3S/c1-24(2,29-22(32)26-18-6-4-3-5-7-18)21(31)28-23-27-19(16-8-10-17(25)11-9-16)20(34-23)30-12-14-33-15-13-30/h8-11,18H,3-7,12-15H2,1-2H3,(H2,26,29,32)(H,27,28,31).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 489.62 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 57435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).