N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide

C15H20N2OS — CID 136559607

IUPACN-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
SMILESC=C=CCNC(=O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-9-16-14(18)10-15-17-13(11-19-15)12-7-5-4-6-8-12/h3,11-12H,1,4-10H2,(H,16,18)
InChIKeyDILDXHRRJDHSRZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.19
Rot. Bonds5

About N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide

N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide (PubChem CID 136559607) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
PubChem CID136559607
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
SMILESC=C=CCNC(=O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-9-16-14(18)10-15-17-13(11-19-15)12-7-5-4-6-8-12/h3,11-12H,1,4-10H2,(H,16,18)
InChIKeyDILDXHRRJDHSRZ-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide (CID 136559607) is N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide is C=C=CCNC(=O)Cc1nc(C2CCCCC2)cs1.
What is the InChIKey of N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DILDXHRRJDHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-9-16-14(18)10-15-17-13(11-19-15)12-7-5-4-6-8-12/h3,11-12H,1,4-10H2,(H,16,18).
What are the key properties of N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide?
N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 136559607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).