N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C17H26N4O2S — CID 117088345

IUPACN-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CC3)s2)C1
InChIInChI=1S/C17H26N4O2S/c1-3-20(4-2)16(23)12-6-5-9-21(11-12)17-18-10-14(24-17)15(22)19-13-7-8-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyYIKGCPMRZYZVDF-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.12
Rot. Bonds6

About N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 117088345) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID117088345
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CC3)s2)C1
InChIInChI=1S/C17H26N4O2S/c1-3-20(4-2)16(23)12-6-5-9-21(11-12)17-18-10-14(24-17)15(22)19-13-7-8-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyYIKGCPMRZYZVDF-UHFFFAOYSA-N
XLogP2.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 117088345) is N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(=O)NC3CC3)s2)C1.
What is the InChIKey of N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YIKGCPMRZYZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-3-20(4-2)16(23)12-6-5-9-21(11-12)17-18-10-14(24-17)15(22)19-13-7-8-13/h10,12-13H,3-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).