N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C28H38ClN3O2S — CID 142983063

IUPACN-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1csc(C2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C28H38ClN3O2S/c1-28(2,3)22-6-4-5-7-23(22)30-26(34)24-18-35-27(31-24)20-14-16-32(17-15-20)25(33)13-10-19-8-11-21(29)12-9-19/h8-9,11-12,18,20,22-23H,4-7,10,13-17H2,1-3H3,(H,30,34)
InChIKeyRZJDEDJHTQEXCV-UHFFFAOYSA-N
MW516.15 g/mol
LogP6.47
Rot. Bonds6

About N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 142983063) has the molecular formula C28H38ClN3O2S and a molecular weight of 516.15 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID142983063
Molecular FormulaC28H38ClN3O2S
Molecular Weight516.15 g/mol
Exact Mass515.24
IUPAC NameN-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1csc(C2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C28H38ClN3O2S/c1-28(2,3)22-6-4-5-7-23(22)30-26(34)24-18-35-27(31-24)20-14-16-32(17-15-20)25(33)13-10-19-8-11-21(29)12-9-19/h8-9,11-12,18,20,22-23H,4-7,10,13-17H2,1-3H3,(H,30,34)
InChIKeyRZJDEDJHTQEXCV-UHFFFAOYSA-N
XLogP6.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.15
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59209858
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208871
N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209105
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-[3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982584
N-(2-tert-butylphenyl)-2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210275
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
N-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59496782
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 118250031
N-[(4-chloro-2-methylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5011218
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026014
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 142983063) is N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC(C)(C)C1CCCCC1NC(=O)c1csc(C2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RZJDEDJHTQEXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3O2S/c1-28(2,3)22-6-4-5-7-23(22)30-26(34)24-18-35-27(31-24)20-14-16-32(17-15-20)25(33)13-10-19-8-11-21(29)12-9-19/h8-9,11-12,18,20,22-23H,4-7,10,13-17H2,1-3H3,(H,30,34).
What are the key properties of N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 516.15 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 142983063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).