N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

C22H32N2OS — CID 23761567

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C22H32N2OS/c25-20(7-6-15-4-2-1-3-5-15)24-21-23-19(14-26-21)22-11-16-8-17(12-22)10-18(9-16)13-22/h14-18H,1-13H2,(H,23,24,25)
InChIKeyQLBAYILBNLBWBT-UHFFFAOYSA-N
MW372.58 g/mol
LogP5.91
Rot. Bonds5

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (PubChem CID 23761567) has the molecular formula C22H32N2OS and a molecular weight of 372.58 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
PubChem CID23761567
Molecular FormulaC22H32N2OS
Molecular Weight372.58 g/mol
Exact Mass372.22
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C22H32N2OS/c25-20(7-6-15-4-2-1-3-5-15)24-21-23-19(14-26-21)22-11-16-8-17(12-22)10-18(9-16)13-22/h14-18H,1-13H2,(H,23,24,25)
InChIKeyQLBAYILBNLBWBT-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (CID 23761567) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The InChIKey is QLBAYILBNLBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2OS/c25-20(7-6-15-4-2-1-3-5-15)24-21-23-19(14-26-21)22-11-16-8-17(12-22)10-18(9-16)13-22/h14-18H,1-13H2,(H,23,24,25).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide has a molecular weight of 372.58 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 23761567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).