N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C20H27N5O2S — CID 71841696

IUPACN-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCCn1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)n1
InChIInChI=1S/C20H27N5O2S/c1-2-25-11-8-17(23-25)20(27)24-10-3-4-15(12-24)19-22-16(13-28-19)7-9-21-18(26)14-5-6-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,21,26)
InChIKeyPXLZSAKGSDIYAQ-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841696) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841696
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCCn1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)n1
InChIInChI=1S/C20H27N5O2S/c1-2-25-11-8-17(23-25)20(27)24-10-3-4-15(12-24)19-22-16(13-28-19)7-9-21-18(26)14-5-6-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,21,26)
InChIKeyPXLZSAKGSDIYAQ-UHFFFAOYSA-N
XLogP2.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841696) is N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is CCn1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is PXLZSAKGSDIYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-2-25-11-8-17(23-25)20(27)24-10-3-4-15(12-24)19-22-16(13-28-19)7-9-21-18(26)14-5-6-14/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,21,26).
What are the key properties of N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).