2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C15H21N3OS — CID 22366741

IUPAC2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CSC(c2cccnc2)(C2CCCCC2)N1
InChIInChI=1S/C15H21N3OS/c16-14(19)13-10-20-15(18-13,11-5-2-1-3-6-11)12-7-4-8-17-9-12/h4,7-9,11,13,18H,1-3,5-6,10H2,(H2,16,19)
InChIKeyADKNJHMZKWXNKP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 22366741) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID22366741
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)C1CSC(c2cccnc2)(C2CCCCC2)N1
InChIInChI=1S/C15H21N3OS/c16-14(19)13-10-20-15(18-13,11-5-2-1-3-6-11)12-7-4-8-17-9-12/h4,7-9,11,13,18H,1-3,5-6,10H2,(H2,16,19)
InChIKeyADKNJHMZKWXNKP-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 22366741) is 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is NC(=O)C1CSC(c2cccnc2)(C2CCCCC2)N1.
What is the InChIKey of 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ADKNJHMZKWXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-14(19)13-10-20-15(18-13,11-5-2-1-3-6-11)12-7-4-8-17-9-12/h4,7-9,11,13,18H,1-3,5-6,10H2,(H2,16,19).
What are the key properties of 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 22366741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).