2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

C22H39N5O2S — CID 117089501

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCN(C(C)C)C(C)C)s2)C1
InChIInChI=1S/C22H39N5O2S/c1-7-25(8-2)21(29)18-10-9-12-26(15-18)22-24-14-19(30-22)20(28)23-11-13-27(16(3)4)17(5)6/h14,16-18H,7-13,15H2,1-6H3,(H,23,28)
InChIKeyFQQVFIBTROGDJX-UHFFFAOYSA-N
MW437.65 g/mol
LogP3.08
Rot. Bonds10

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 117089501) has the molecular formula C22H39N5O2S and a molecular weight of 437.65 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID117089501
Molecular FormulaC22H39N5O2S
Molecular Weight437.65 g/mol
Exact Mass437.28
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCN(C(C)C)C(C)C)s2)C1
InChIInChI=1S/C22H39N5O2S/c1-7-25(8-2)21(29)18-10-9-12-26(15-18)22-24-14-19(30-22)20(28)23-11-13-27(16(3)4)17(5)6/h14,16-18H,7-13,15H2,1-6H3,(H,23,28)
InChIKeyFQQVFIBTROGDJX-UHFFFAOYSA-N
XLogP3.08
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.65
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 117089501) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NCCN(C(C)C)C(C)C)s2)C1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FQQVFIBTROGDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O2S/c1-7-25(8-2)21(29)18-10-9-12-26(15-18)22-24-14-19(30-22)20(28)23-11-13-27(16(3)4)17(5)6/h14,16-18H,7-13,15H2,1-6H3,(H,23,28).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 437.65 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).