N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C26H29FN4OS — CID 175236985

IUPACN-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(N2CCN(C3CCCCC3)CC2)s1)c1ccccc1
InChIInChI=1S/C26H29FN4OS/c27-21-13-11-19(12-14-21)23-25(31-17-15-30(16-18-31)22-9-5-2-6-10-22)33-26(28-23)29-24(32)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,22H,2,5-6,9-10,15-18H2,(H,28,29,32)
InChIKeyZZERQTFLQLHJFN-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.66
Rot. Bonds5

About N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 175236985) has the molecular formula C26H29FN4OS and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID175236985
Molecular FormulaC26H29FN4OS
Molecular Weight464.61 g/mol
Exact Mass464.20
IUPAC NameN-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(N2CCN(C3CCCCC3)CC2)s1)c1ccccc1
InChIInChI=1S/C26H29FN4OS/c27-21-13-11-19(12-14-21)23-25(31-17-15-30(16-18-31)22-9-5-2-6-10-22)33-26(28-23)29-24(32)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,22H,2,5-6,9-10,15-18H2,(H,28,29,32)
InChIKeyZZERQTFLQLHJFN-UHFFFAOYSA-N
XLogP5.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[amino(methylsulfonyl)methyl]-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
CID 87274264
methyl 2-amino-2-[4-[[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]acetate
CID 87274556
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 23030657
1-[2-chloro-4-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]piperidine-4-carboxylic acid
CID 23030665
2-[1-[3-chloro-5-[[4-(3-chlorosulfanylphenyl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 87519973
N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide
CID 13481987
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-[[2-[(2-cyclohexylacetyl)amino]-2-methylpropanoyl]amino]-N-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 44612446
1-[2-chloro-4-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 23030664
1-[5-[[4-(5-bromo-4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-3-chloro-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 175675191
2-[1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 23030566

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 175236985) is N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)c(N2CCN(C3CCCCC3)CC2)s1)c1ccccc1.
What is the InChIKey of N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZZERQTFLQLHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4OS/c27-21-13-11-19(12-14-21)23-25(31-17-15-30(16-18-31)22-9-5-2-6-10-22)33-26(28-23)29-24(32)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,22H,2,5-6,9-10,15-18H2,(H,28,29,32).
What are the key properties of N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 464.61 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 175236985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).