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

C23H34N2OS — CID 23742184

IUPACN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C23H34N2OS/c26-21(7-6-16-4-2-1-3-5-16)25-22-24-20(15-27-22)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h15-19H,1-14H2,(H,24,25,26)
InChIKeyJNUBWSWAKYDRLO-UHFFFAOYSA-N
MW386.61 g/mol
LogP6.20
Rot. Bonds6

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

N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (PubChem CID 23742184) has the molecular formula C23H34N2OS and a molecular weight of 386.61 g/mol. Its IUPAC name is N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
PubChem CID23742184
Molecular FormulaC23H34N2OS
Molecular Weight386.61 g/mol
Exact Mass386.24
IUPAC NameN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C23H34N2OS/c26-21(7-6-16-4-2-1-3-5-16)25-22-24-20(15-27-22)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h15-19H,1-14H2,(H,24,25,26)
InChIKeyJNUBWSWAKYDRLO-UHFFFAOYSA-N
XLogP6.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 23798816
N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 23761117
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
3-cyclohexyl-N-[4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 21001957
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
3-cyclohexyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995330

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (CID 23742184) is N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The InChIKey is JNUBWSWAKYDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2OS/c26-21(7-6-16-4-2-1-3-5-16)25-22-24-20(15-27-22)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h15-19H,1-14H2,(H,24,25,26).
What are the key properties of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide has a molecular weight of 386.61 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 23742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).