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

C18H25N5O2S — CID 53149583

IUPACN-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCn1nccc1C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C18H25N5O2S/c1-3-23-16(7-9-20-23)18(25)22-10-4-5-14(11-22)17-21-15(12-26-17)6-8-19-13(2)24/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,24)
InChIKeyYCICWMSHPLNVRT-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.06
Rot. Bonds6

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

N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 53149583) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID53149583
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCn1nccc1C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C18H25N5O2S/c1-3-23-16(7-9-20-23)18(25)22-10-4-5-14(11-22)17-21-15(12-26-17)6-8-19-13(2)24/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,24)
InChIKeyYCICWMSHPLNVRT-UHFFFAOYSA-N
XLogP2.06
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.06
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-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 53149583) is N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is CCn1nccc1C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is YCICWMSHPLNVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-3-23-16(7-9-20-23)18(25)22-10-4-5-14(11-22)17-21-15(12-26-17)6-8-19-13(2)24/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,24).
What are the key properties of N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 53149583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).