N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide

C14H21N3OS — CID 63129094

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2nc(C3CC3)cs2)CCNCC1
InChIInChI=1S/C14H21N3OS/c1-2-14(5-7-15-8-6-14)12(18)17-13-16-11(9-19-13)10-3-4-10/h9-10,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyIBEUCBBIKGRILJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.74
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide (PubChem CID 63129094) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
PubChem CID63129094
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2nc(C3CC3)cs2)CCNCC1
InChIInChI=1S/C14H21N3OS/c1-2-14(5-7-15-8-6-14)12(18)17-13-16-11(9-19-13)10-3-4-10/h9-10,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyIBEUCBBIKGRILJ-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide (CID 63129094) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2nc(C3CC3)cs2)CCNCC1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is IBEUCBBIKGRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-14(5-7-15-8-6-14)12(18)17-13-16-11(9-19-13)10-3-4-10/h9-10,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63129094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).