4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile

C23H21N3OS — CID 165421639

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C#N)cc3)CC2)cs1
InChIInChI=1S/C23H21N3OS/c1-17-25-21(16-28-17)23(20-5-3-2-4-6-20)11-13-26(14-12-23)22(27)19-9-7-18(15-24)8-10-19/h2-10,16H,11-14H2,1H3
InChIKeyJIQZEUAITTYJFG-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.55
Rot. Bonds3

About 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile

4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile (PubChem CID 165421639) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
PubChem CID165421639
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C#N)cc3)CC2)cs1
InChIInChI=1S/C23H21N3OS/c1-17-25-21(16-28-17)23(20-5-3-2-4-6-20)11-13-26(14-12-23)22(27)19-9-7-18(15-24)8-10-19/h2-10,16H,11-14H2,1H3
InChIKeyJIQZEUAITTYJFG-UHFFFAOYSA-N
XLogP4.55
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
CID 164692403

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile (CID 165421639) is 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile is Cc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C#N)cc3)CC2)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile?
The InChIKey is JIQZEUAITTYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-17-25-21(16-28-17)23(20-5-3-2-4-6-20)11-13-26(14-12-23)22(27)19-9-7-18(15-24)8-10-19/h2-10,16H,11-14H2,1H3.
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile?
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile has a molecular weight of 387.51 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 165421639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).