(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile

C18H26N4OS — CID 94668481

IUPAC(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile
SMILESCc1nc(C)c(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)s1
InChIInChI=1S/C18H26N4OS/c1-13-17(24-14(2)20-13)18(23)22-10-8-21(9-11-22)16(12-19)15-6-4-3-5-7-15/h15-16H,3-11H2,1-2H3/t16-/m0/s1
InChIKeyWFWCHUNEVUADKP-INIZCTEOSA-N
MW346.50 g/mol
LogP2.99
Rot. Bonds3

About (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile

(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 94668481) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID94668481
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile
SMILESCc1nc(C)c(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)s1
InChIInChI=1S/C18H26N4OS/c1-13-17(24-14(2)20-13)18(23)22-10-8-21(9-11-22)16(12-19)15-6-4-3-5-7-15/h15-16H,3-11H2,1-2H3/t16-/m0/s1
InChIKeyWFWCHUNEVUADKP-INIZCTEOSA-N
XLogP2.99
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile with MolForge

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Related Compounds

cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
(2S)-2-cyclohexyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 94544640
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033541
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121053835
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile (CID 94668481) is (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile is Cc1nc(C)c(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)s1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is WFWCHUNEVUADKP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-17(24-14(2)20-13)18(23)22-10-8-21(9-11-22)16(12-19)15-6-4-3-5-7-15/h15-16H,3-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile?
(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 346.50 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 94668481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).