2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole

C29H38N4OS2 — CID 90919508

IUPAC2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CCN(N4CCC(c5nc(C6CCCCC6)cs5)CC4)CC3)n2)cc1
InChIInChI=1S/C29H38N4OS2/c1-34-25-9-7-22(8-10-25)27-20-36-29(31-27)24-13-17-33(18-14-24)32-15-11-23(12-16-32)28-30-26(19-35-28)21-5-3-2-4-6-21/h7-10,19-21,23-24H,2-6,11-18H2,1H3
InChIKeyWIDZCRPMEADDQT-UHFFFAOYSA-N
MW522.78 g/mol
LogP7.30
Rot. Bonds6

About 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 90919508) has the molecular formula C29H38N4OS2 and a molecular weight of 522.78 g/mol. Its IUPAC name is 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID90919508
Molecular FormulaC29H38N4OS2
Molecular Weight522.78 g/mol
Exact Mass522.25
IUPAC Name2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CCN(N4CCC(c5nc(C6CCCCC6)cs5)CC4)CC3)n2)cc1
InChIInChI=1S/C29H38N4OS2/c1-34-25-9-7-22(8-10-25)27-20-36-29(31-27)24-13-17-33(18-14-24)32-15-11-23(12-16-32)28-30-26(19-35-28)21-5-3-2-4-6-21/h7-10,19-21,23-24H,2-6,11-18H2,1H3
InChIKeyWIDZCRPMEADDQT-UHFFFAOYSA-N
XLogP7.30
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.78
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-(2-cyclohexyl-1,3-thiazol-4-yl)cyclohexan-1-ol
CID 116890500
4-(4-cyclohexyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 116965467
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319325
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53035987
2-[(2R,4S)-2-ethyl-2-methylthian-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 912115
4-(4-cyclopentyl-1,3-thiazol-2-yl)-N-methylcyclohexan-1-amine
CID 116965480
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
methyl 4-[2-(1-acetylpyrrolidin-3-yl)-1,3-thiazol-4-yl]benzoate
CID 167917290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 90919508) is 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(C3CCN(N4CCC(c5nc(C6CCCCC6)cs5)CC4)CC3)n2)cc1.
What is the InChIKey of 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is WIDZCRPMEADDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4OS2/c1-34-25-9-7-22(8-10-25)27-20-36-29(31-27)24-13-17-33(18-14-24)32-15-11-23(12-16-32)28-30-26(19-35-28)21-5-3-2-4-6-21/h7-10,19-21,23-24H,2-6,11-18H2,1H3.
What are the key properties of 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 522.78 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 90919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).