2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide

C16H20N2OS — CID 133133094

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)cs1
InChIInChI=1S/C16H20N2OS/c1-10-18-13(9-20-10)7-15(19)17-8-11-6-12-2-3-14(11)16(12)4-5-16/h2-3,9,11-12,14H,4-8H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1
InChIKeyAKZUMEVOBKCJKS-OBJOEFQTSA-N
MW288.42 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide (PubChem CID 133133094) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide
PubChem CID133133094
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)cs1
InChIInChI=1S/C16H20N2OS/c1-10-18-13(9-20-10)7-15(19)17-8-11-6-12-2-3-14(11)16(12)4-5-16/h2-3,9,11-12,14H,4-8H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1
InChIKeyAKZUMEVOBKCJKS-OBJOEFQTSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide (CID 133133094) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide is Cc1nc(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide?
The InChIKey is AKZUMEVOBKCJKS-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-18-13(9-20-10)7-15(19)17-8-11-6-12-2-3-14(11)16(12)4-5-16/h2-3,9,11-12,14H,4-8H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]acetamide is sourced from PubChem (CID 133133094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).